Experimental and theoretical investigation of the IR spectra and thermochemistry of four isomers of 2-N,N-dimethylaminecyclohexyl 1-N’,N’-dimethylcarbamate
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Abstract
the IR spectra of four stable isomers of 2-N,N-dimethylaminecyclohexyl 1-N’,N’-dimethylcarbamate
was performed. Our theoretical calculations reveal that two new isomers of this compound exist and
may be more stable than the known isomers. In addition the entropy, heat capacity, and the enthalpy
content of the stable isomers are computed by fitting the calculated data to a standard Shomate equa-
tion and IR spectra for the two new isomers are presented.
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