Chemical Reactivity of Amrinone’s Tautomers: A Theoretical DFT Study Using FukuiFunctions Analysis

In this article, the cardiovascular disorders’ drug amrinone was studied by DFT/B۳LYP/۶-۳۱۱++G(d,p)to investigate its tautomers’ local and global chemical reactivity through Fukui functions and dual descriptorsanalysis. The results indicated that tautomer C has more chemical reactivity than others. The findings suggestamrinone’s potential applications in new fields.

کلیدواژه ها:

Amrinone ، Chemical reactivity ، Fukui functions