Computational Study on Paracetamol Drug
Lana Omer Ahmed, Rebaz Anwar Omer · DergiPark (Istanbul University) · 2020
Paracetamol is a drug used to relieve pain and fever.It is also known as acetaminophen and APAP.It's typically used to relieve mild to moderate pain.Gaussian software programs 09 conducted a theoretical study to find Paracetamol reactivity.Density Functional Theory (DFT) on the best set 6-31++G using to determine geometrical structure and energy bandgap.Frontier molecular orbitals estimated to find the properties of the molecule.Atomic charge distribution has conformed the charge on each atom in the molecular structure.Molecular electrostatic potential evolution for the paracetamol structure and show that structures with high electronegativity.