Structure for 9-(3-Dimethylaminopropyl)-2-trifluoromethylxanthene, hydrochloride
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Additional information about this structure
| Owner: |
Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
|
| Computation date: |
2013-07-14
|
| Contributor(s): |
Michael Liou
|
| Computational method: |
B3LYP/6-31G*
|
| Computational software: |
Gaussian 09, Revision D.01
|
| Electronic energy: |
-1626.36821463 hartree
|
| Dipole moment: |
2.6673 debye
|
| Rotational constants: |
0.2052127 GHz
0.1277924 GHz
0.0845439 GHz
|