Conformational Analysis and Properties of Methylo Substituted Cathinone

This study sought to collect information on the former ´´legal-high´´ mephedrone.  Legal high are compounds, plants or fungal material which can be readily bought from the internet without legal restriction and the single chemicals may be structurally related to illegal drugs of abuse such as the amphetamines. Several recent deaths in the United Kingdom have been attributed to these legal highs and unfortunately there is little chemical or biological literature on these materials or certified standards. The isomers of methcathinone, 2-, 3- and 4-methylmethcathinone (o-,m-,p-methylmethcathinone)  were analyzed. Mephedrone are synthetic psycho stimulant and empatogenem from amphetamine and cathinone class. Is the most studied compound but there  is not studies on conformation, only effect on human body. The isomers of  methcathinone were analyzed using methods of  DFT and MP2 calculations. Then show the IR Spectra and the transition state for the three compounds can be used to distinguish between them.