Structure for Dodecanoic acid
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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: |
2015-07-01
|
| Contributor(s): |
Avi Newman
|
| Computational method: |
B3LYP/6-31G*
|
| Computational software: |
Gaussian 09, Revision D.01
|
| Electronic energy: |
-622.215024948 hartree
|
| Dipole moment: |
1.3867 debye
|
| Rotational constants: |
2.09582 GHz
0.14333 GHz
0.14152 GHz
|