13C cpmas nmr and molecular modeling in the studies of new analogues of buspirone.
Three derivatives of 1,4 dichloro-dibenzo[e,h]-bicyclo[2.2.3]octane-2,3-dicarboximide were examined by 13C CPMAS NMR. Low energy conformations were found by a semi-empirical AM1 approach, NMR shielding constants were calculated using the GIAO RHF method.
Pisklak
Maciej
M
Department of Physical Chemistry, The Medical University of Warsaw I Banacha Str., 02-097 Warsaw.
Perliński
Mirosław
M
Kossakowski
Jerzy
J
Wawer
Iwona
I
D014151:Anti-Anxiety Agents / Q000138:chemical synthesis / Q000737:chemistry*; D002065:Buspirone / Q000031:analogs & derivatives* / Q000138:chemical synthesis / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008958:Models, Molecular; D016571:Neural Networks, Computer
D014151:Anti-Anxiety Agents; D002065:Buspirone