International Journal of Chemical Studies
Vol. 2, Issue 4 (2014)
A quantum chemical comparative study of Epinine and Hordenine
Author(s): Apoorva Dwivedi, Vinod Dubey, Abhishek Kumar Bajpai
Abstract: Epinine, is an organic compound and natural product that is structurally related to the important neurotransmitters dopamine and epinephrine while Hordenine, is an alkaloid of the phenethylamine class that occurs naturally in a variety of plants. These have nearly similar type of structures so we have done a comparative study of epinine and hordenine with B3LYP with 6-311 G (d, p) as the basis set. Here we have done a relative study of their structures, vibrational assignments, thermal and electronic properties of epinine and hordenine. We have plotted frontier orbital HOMO- LUMO surfaces, Molecular electrostatic potential surfaces to explain the reactive nature of epinine and hordenine.
Pages: 20-26 | 1121 Views 14 Downloads
How to cite this article:
Apoorva Dwivedi, Vinod Dubey, Abhishek Kumar Bajpai. A quantum chemical comparative study of Epinine and Hordenine. Int J Chem Stud 2014;2(4):20-26.