Structure for Di-epi-1,10-cubenol
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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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Note: Numeric values for the IR frequencies are
avialable in the SD file.
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: |
2012-08-03
|
| Contributor(s): |
Jeffrey Qiu
|
| Computational method: |
B3LYP/6-31G*
|
| Computational software: |
Gaussian 09, Revision C.01
|
| Electronic energy: |
-662.475692370 hartree
|
| Dipole moment: |
1.4038 debye
|
| Rotational constants: |
0.72240 GHz
0.41605 GHz
0.35806 GHz
|