Ali Reza Berenji - Department of Applied Chemistry, University of Gonabad, Gonabad, Iran
Farhad Hormozi Nasiri - Department of Applied Chemistry, University of Gonabad, Gonabad, Iran
Fatemeh Samadi Dinani - Department of Applied Chemistry, University of Gonabad, Gonabad, Iran

The conformers of MAB have been studied by means of DFT. The geometry and vibrationalwavenumbers of MAB were calculated at the TPSSh level using 6-311++G(d,p) basis set. Accordingto the calculated results, only one structure is the most stable conformer of MAB which is inagreement with the corresponding APO results.

β-Enaminones, DFT, Conformational stability, Hydogen bond