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The geometries of the two conformers of 2-acetylpyridine (2AP) were optimized at the DFT/B3LYP/6–311++G(d,p) level of approximation, and their relative energy and interconversion barrier evaluated. Both conformers were found to belong to the Cs symmetry point group, with conformer cis (with the methyl group and the ring nitrogen atom located in the same side of the molecule) being considerably stabilized...
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