This study aims to investigate the optimized structure and parameters of carisoprodol from DFT/B3LYP/6-31G(d,p) level theory. The molecular electrostatic potential (MEP) map signifies that positive across hydrogen amine group (NH2) negative around carbonyl groups (C=O). HOMO-LUMO energy gap was found be 8.1064 eV. global local reactivity describe possible chemical reactive sites in molecule. to...