1H-Imidazole-5-ethanamine, N,N-dimethyl- NIST 11121313213D 1 1.00000 -438.80742 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 23 23 0 0 0 0 0 0 0 0999 V2000 -1.1694 -2.3413 0.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5439 -2.6100 -0.3539 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0532 -1.0760 1.1656 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3146 -0.4855 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 0.9784 0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0091 -1.4238 -0.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2386 1.8543 -0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 3.2861 -0.0916 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 4.0352 -0.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5464 3.8386 1.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -3.1042 1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4827 -3.5067 -0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4848 1.2166 1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7369 1.2158 -0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5679 -1.3610 -1.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6995 1.5712 -0.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 1.6207 0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7778 5.0915 -0.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2947 3.6550 -1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9731 3.9803 -0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3003 4.8998 1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3443 3.3324 1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3433 3.7543 1.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 4 6 2 0 6 2 1 0 2 1 1 0 1 3 2 0 4 3 1 0 1 11 1 0 2 12 1 0 5 13 1 0 5 14 1 0 6 15 1 0 7 16 1 0 7 17 1 0 9 18 1 0 9 19 1 0 9 20 1 0 10 21 1 0 10 22 1 0 10 23 1 0 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2013-11-12 > 673-46-1 > 1H-Imidazole-5-ethanamine, N,N-dimethyl- 1H-Imidazole-4-ethanamine, N,N-dimethyl- Imidazole, 4(or 5)-(2-dimethylaminoethyl)- Imidazole, 4(or 5)-[2-(dimethylamino)ethyl]- > B3LYP/6-31G* > 3.2444 debye > -438.807419986 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 35.7831 4.0908 47.9435 3.2571 90.0437 2.0741 110.3443 0.3940 230.1381 1.4414 250.7094 0.5628 270.5301 1.0033 313.2149 5.8585 325.6642 0.5711 388.8179 9.3466 448.2101 2.6739 465.8758 0.1563 491.2348 110.8398 657.7153 1.6498 693.9896 3.7785 718.8181 11.8805 755.6040 7.7693 795.5334 0.9408 805.3223 22.2542 877.5827 18.9659 948.2152 0.6328 981.6102 7.4802 1035.4618 3.6913 1049.8662 3.7032 1068.0765 38.8837 1077.7386 32.1691 1098.6647 26.2465 1132.3158 6.4066 1136.8679 6.5710 1171.2543 7.4167 1209.0958 14.1062 1246.9831 15.1853 1274.0982 8.8094 1293.4345 13.4649 1312.3255 10.0537 1343.4244 3.0273 1350.3200 7.3989 1373.0395 5.7336 1426.1777 16.7062 1466.1436 2.1685 1471.4536 21.3243 1496.8425 0.2179 1509.2311 0.4935 1513.7796 11.4615 1522.4349 4.0232 1529.8601 10.1584 1536.4043 5.8019 1538.4715 24.4728 1542.7924 5.0062 1610.6876 15.2621 2926.5887 43.7794 2934.8840 95.4195 2952.3599 94.5421 3052.4499 12.9369 3067.6879 21.8230 3072.4182 43.3536 3083.8535 45.4764 3099.9693 29.1300 3116.4159 44.0686 3131.3262 38.7496 3264.3039 5.8952 3287.2613 0.9161 3651.4465 49.3985 > 3.86737 GHz 0.55115 GHz 0.53856 GHz > Gaussian 09, Revision D.01 > Katherine Hafner $$$$