Structure for Benzenamine, 2-ethyl-6-methyl-
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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: |
2012-08-03
|
| Contributor(s): |
Alexander Yang
|
| Computational method: |
B3LYP/6-31G*
|
| Computational software: |
Gaussian 09, Revision C.01
|
| Electronic energy: |
-405.549129121 hartree
|
| Dipole moment: |
1.7152 debye
|
| Rotational constants: |
2.01109 GHz
1.12435 GHz
0.77080 GHz
|