Structure for Methyl Z,Z 13,16-docosadienoate
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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: |
2015-07-07
|
| Contributor(s): |
Avi Newman
|
| Computational method: |
B3LYP/6-31G*
|
| Computational software: |
Gaussian 09, Revision D.01
|
| Electronic energy: |
-1052.18389429 hartree
|
| Dipole moment: |
3.9919 debye
|
| Rotational constants: |
0.38779 GHz
0.02433 GHz
0.02329 GHz
|