NMR, FT-IR, FT-Raman, UV spectroscopic, HOMO-LUMO and NBO analysis of cumene by quantum computational methods

The isopropyl benzene (cumene) is an aromatic organic compound and is extensively studied due to its wide applications in biomedical and industrial fields. Considering its industrial and biomedical importance, a thorough analysis of physical and chemical properties is made for this molecule. It will be a helpful source to enrich the knowledge in the field of biomedical industries.