Structure for 2,4,5-Trichlorophenyl trichloroacetate
Notes
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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.
Notice: A plot could not be displayed here becuse plotting data currently requires a JavaScript and HTML 5 canvas enabled browser.
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. |
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Computation date: | 2012-08-03 |
Contributor(s): | Alexander Yang |
Computational method: | B3LYP/6-31G* |
Computational software: | Gaussian 09, Revision C.01 |
Electronic energy: | -3217.64493554 hartree |
Dipole moment: | 1.1627 debye |
Rotational constants: | 0.54597 GHz 0.14434 GHz 0.12525 GHz |