Conformational Analysis of N-Methylpyrrolidine Betaine Hydrochloride by X-Ray Diffraction and Ab Initio Calculations
Abstract
The structure of the title compound in the solid state and its five most stable conformers in the gas phase have been analysed by X-ray diffraction, and by MP2/6-31G(d,p) and BLYP/6-31G(d,p) calculations, respectively.