Vibrational and NMR Investigation on Pharmaceutical Activity of 2,5- Dimethoxy-4-Ethylamphetamine by Theoretical and Experimental Support

Abstract

The Detailed physical, chemical, thermal and circular vibrational investigations have been made on FT-IR, FTRaman, NMR and UV-Visible spectra of 2,5-Dimethoxy-4-ethylamphetamine. The modification of the basic property (deficit hyperactivity disorder) of the base compound (Amphetamine) is favoured by the insertion of two methoxy and ethyl-methyl groups have been discussed in detail. The transitional pattern among NBO emphasized the inducement of the psychedelic activity in the compound. The strong interpretation made on the physical and chemical properties by intense observation using excitations between the electronic energy levels within the molecule have been carried out. The arrangement of the dipole moment of the bonds and the change of resultant magnetic moment were observed from the average Polarizability first order diagonal hyperpolarizability. The receptor and inhibition property of the molecule were interpreted by the identification of reactive sites from molecular electrostatic potential contour map. The chemical reaction continuity is keenly observed from thermodynamical analysis.

Molecular structure investigation towards pharmacodynamic activity and QSAR analysis on hypoxanthine using experimental and computational tools

“…The well distinct 1 HNMR and 13 CNMR spectra were recorded using high resolution 1200 MHz FT-NMR spectrometer [14]. The UV-Vis spectrum was recorded in the range of 200 nm-800 nm, with the scanning interval of 0.2 nm, using the UV-1700 series instrument [15].…”