Ab Initio Quantum Mechanical Ground State Characterization of Free Base and N-protonated Guanfacine
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The objective of this project was to obtain geometric and electronic characterization of free-base and N-protonated quanfacine molecules at their ground state. The following paragraph summarizes the reasons for interest in this molecule. Guanfacine and clonidine both contain a 2,6-dichloro substituted benzene ring and a guanidino group, but the linkage between these moieties differs in the two molecules. By comparing the geometry and electronic structure of guanfacine and clonidine, the pharmacological similarities and differences can be investigated. In this project only the properties of guanfacine and its cation are investigated.If you are not a current K College student, faculty, or staff member, email firstname.lastname@example.org to request access to this SIP.