ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 22, Number 2
JKCSEZ 22(2)
April 20, 1978 

MO theoretical studies on the conformations of N-acetylpyrrolidone and its protonated form were carried out by the EHT and CNDO/2 methods. According to our calculated results, the heavy atom skeleton of this molecule is planar, and the trans-trans planar conformation is more stable than cis-trans. The protonation occurs most readily on the ring carbonyl oxygen. These results were interpreted in terms of conjugative, electrostatic and steric effect.