Structure for 1-methyl-3-methylenecyclohexene
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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: |
2012-06-28
|
| Contributor(s): |
Katherine Hafner
|
| Computational method: |
B3LYP/6-31G*
|
| Computational software: |
Gaussian 09, Revision C.01
|
| Electronic energy: |
-312.059383740 hartree
|
| Dipole moment: |
0.9587 debye
|
| Rotational constants: |
3.19209 GHz
1.75079 GHz
1.18562 GHz
|