Collect. Czech. Chem. Commun. 1980, 45, 2187-2193

EHT study of system 1-methyl-1,4-dihydronicotinamide-acetaldehyde

Jiří Krechl and Josef Kuthan

Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6


With the use of the method of local energy minima it has been postulated that energetically preferred tight configurations of the supermolecule 1-methyl-1,4-dihydronicotinamide-acetaldehyde (I) can be formulated as the mutual orientations of the both partners Ia,b. Possible biochemical aspects of these arrangements are discussed.