Electronic structures of Psychopharmacs. I. Metaholism of tryptophane

Abstract

We have calculated the molecular diagrams of tryptophan (I), 5-hydroxytryptophan (II), 5-hydroxitryptamine (serotonin) (III), 5-hydroxyindolacetaldehyde (IV) and 5-hydroxyindolacetic acid (V) by the Pauijng-Wheland approximation. From these diagrams and the energy indices, as the highest occupied Molecular Orbital (h.o.MO), the lovest vacant molecular orbital (l.v.MO) and the delocalization energy by molecule and per pi electron, we have predictions on the physicochemical and biological properties of these molecules.