Structure for Estradiol dipropionate
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IR frequencies derived from structure calulation
IR frequencies derived from the computation which produced the structure
are shown in the plot below. These data are not adjusted for any expected
biases in the computational method.
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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: |
2013-07-20
|
| Contributor(s): |
Michael Liou
|
| Computational method: |
B3LYP/6-31G*
|
| Computational software: |
Gaussian 09, Revision D.01
|
| Electronic energy: |
-1234.76330621 hartree
|
| Dipole moment: |
3.1104 debye
|
| Rotational constants: |
0.59443 GHz
0.05722 GHz
0.05489 GHz
|