Significance of Solvent Contributions to Thermodynamic Factors, Reactivity Evaluation(ALIE, MEP) , Electronic(UV, TDM, FMO) and Pharmaceutical Applications of 2-Amino-3-Benzyloxypyridine :Anti-Viral Agent

Abstract

The organic drug 2-amino-3-benzyloxypyridine has been evaluated theoretically using spectral characterization (FT-IR, FT-Raman, and UV-spectral studies). Electrical characteristics, stability for gas, and different solvents were obtained. Potential Energy Scan carries out structural geometrical specifications and the lowest minimum energy of the compound. Excitation analyses of TDM and UV-Vis spectra demonstrated the stability of the substance. Utilizing the NBO method, the intermolecular dependability of the molecule was ascertained. According to the outcomes, its energy in polar solvents is lower than in non-polar ones, but it is larger in the gas phases compared to the liquid state. Using ELF, LOL, and RDG, the topological behavior of the molecule for gas was investigated. It had been found that the amino acid residues fit well in this ligand. Based on the obtained outcomes, the complex's high energy level gap in the water solvent suggests that it has high chemical stability and low reactivity compared to the other compounds. However, the chloroform and gas phase is the softest and most reactive complex. The study illustrated a drug's biological characteristics and potential for oral usage by using drug-likeness and biological score prediction.