Piperidine, 4-methyl- NIST 11121313213D 1 1.00000 -291.21972 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 20 0 0 0 0 0 0 0 0999 V2000 -5.2858 -1.5747 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1703 -0.5296 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2214 -0.5796 -1.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3582 -0.6779 1.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0699 0.4213 -1.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3469 0.1573 0.0261 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2041 0.3280 1.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9718 -1.5111 0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8755 -1.4399 -1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8706 -2.5906 -0.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 0.4691 -0.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7993 -1.5899 -1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7761 -0.3737 -2.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0115 -0.5443 2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9421 -1.6933 1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3689 0.3213 -2.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4826 1.4506 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 0.7775 0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5993 0.1623 2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6252 1.3521 1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 6 7 1 0 7 4 1 0 4 2 1 0 2 3 1 0 3 5 1 0 6 5 1 0 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 3 12 1 0 3 13 1 0 4 14 1 0 4 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 7 19 1 0 7 20 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 > 626-58-4 > Piperidine, 4-methyl- 4-Pipecoline 4-Methylpiperidine Nsc 126910 > B3LYP/6-31G* > 0.9121 debye > -291.219718989 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 155.5051 0.6202 229.0744 0.2142 258.5384 0.1808 305.0013 0.0005 350.1084 2.4238 405.9387 5.1892 454.0860 1.1201 468.1733 1.2060 569.6127 27.9948 785.0215 22.3112 812.1622 68.9641 825.9098 0.4997 893.5081 0.2112 898.1275 1.2517 975.7282 1.8945 996.7530 1.7433 1008.4648 1.5124 1009.7117 0.4254 1065.8887 1.5312 1116.7857 9.2412 1146.1818 6.8883 1179.1962 17.0070 1185.4883 1.1222 1187.3611 4.9867 1254.4401 0.0329 1302.5118 5.9913 1315.6609 0.0936 1349.2619 2.2912 1356.1676 1.3317 1366.9276 35.4023 1399.5111 1.6791 1417.8034 0.8075 1438.7832 1.0438 1447.7570 10.2802 1496.7352 2.2940 1505.4007 0.0355 1515.9539 5.1966 1527.3023 7.6590 1527.3899 0.6120 1530.5917 3.3857 1538.3085 2.0266 2907.1399 28.6298 2913.8002 143.8123 2992.6934 27.1348 3032.9485 21.6431 3033.2169 9.1825 3039.9599 62.0229 3073.2012 100.1170 3075.3582 9.1082 3075.9000 3.6654 3078.6918 65.6285 3101.3958 60.2198 3104.2741 39.0317 3496.1383 2.4673 > 4.38953 GHz 2.19805 GHz 1.60681 GHz > Gaussian 09, Revision D.01 > Katherine Hafner $$$$