Correlation between Activity and Electronic State of Hallucinogenic Amphetamines

The hallucinogenic potency of certain amphetamines can be predicted by the energy of their highest occupied molecular orbital, as calculated using Hückel molecular orbital theory. This correlation, along with the compounds' fluorescent properties, suggests a link between electronic structure and psychoactive effects.

Study at a glance

Abstract

THE actions of hallucinogenic agents have been correlated with Hückel molecular orbital calculations of the π-elections^1 and with fluorescent properties^2. The Hückel correlations on three methoxylated amphetamines indicated that hallucinogenic activity correlated with energy of the highest occupied molecular orbital^1.