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Dipole Moments of the Bioactive Constituents Present in Flutab Drug by Ab-Initio Calculations

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DOI: 10.4236/ojpc.2019.94013    212 Downloads   397 Views

ABSTRACT

Many of the technology and computational chemistry applications are used to study drugs and their biological effects. Flutab® drug contains Paracetamol, Diphenhydramine and Pseudoephedrine. Ab-initio calculations were performed at DFT/B3LYP and HF methods with three basis sets, namely, STO-3G, 3-21G, and 6-31G(d) in order to calculate the dipole moments of the three constituents of Flutab® drug. The Diphenhydramine compound was found to be the most stable constituent, with the lowest value of dipole moment.

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Alajlani, R. and Alssadi, A. (2019) Dipole Moments of the Bioactive Constituents Present in Flutab Drug by Ab-Initio Calculations. Open Journal of Physical Chemistry, 9, 216-220. doi: 10.4236/ojpc.2019.94013.

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