Structure for 1-(3-Chlorophenyl)-3-methyl-2-pyrazolin-5-one
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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.
|Computational software:||Gaussian 09, Revision C.01
|Electronic energy:||-1031.39847088 hartree
|Dipole moment:||5.3726 debye
|Rotational constants:||1.38942 GHz