Collect. Czech. Chem. Commun.
1979, 44, 2633-2638
https://doi.org/10.1135/cccc19792633
On the conformational structure of nicotinamide and methyl-1,4-dihydronicotinamide
Hans-Jörg Hofmanna and Josef Kuthanb
a Sektion Biowissenschaften, Karl-Marx-Universitat, DDR-701 Leipzig
b Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6
Abstract
The conformation of nicotinamide (I) and 1-methyl-1,4-dihydronicotinamide (II) was examined using the NDDO method. The influence of solvent on the molecular structure of the title compounds was estimated by means of a continuum model. Analysis of the NDDO wave functions contributes to the knowledge about the mechanism of the NADH reduction.
