International Journal of Chemical Studies
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P-ISSN: 2349-8528, E-ISSN: 2321-4902   |   Impact Factor: GIF: 0.565 NAAS Rating: 5.31 NEW

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  |  919 Views  14 Downloads

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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.
International Journal of Chemical Studies