Dipole Moments of the Bioactive Constituents Present in Flutab Drug by Ab-Initio Calculations
Open Access
- 1 January 2019
- journal article
- Published by Scientific Research Publishing, Inc. in Open Journal of Physical Chemistry
- Vol. 09 (04), 216-220
- https://doi.org/10.4236/ojpc.2019.94013
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.Keywords
This publication has 1 reference indexed in Scilit:
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951