Structure for 2,6-Dichloroacetophenone
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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: |
-1304.07191163 hartree
|
| Dipole moment: |
3.6076 debye
|
| Rotational constants: |
1.07400 GHz
0.77800 GHz
0.49334 GHz
|