(-)-Tetrabenazine

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Formula C19H27NO3
IUPAC Name (3s,5s,11bs)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
Molecular Mass 317.423 g·mol−1
Heat of Formation -471.6 ± 16.7 kJ·mol−1
Dipole Moment 1.98 ± 1.08 D
Volume 400.97 Å 3
Surface Area 331.87 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,11bs)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydropyrido[2,1-a]isoquinolin-2-one
  • (3s,11bs)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydropyrido[2,1-a]isoquinolin-2-one
InChIKey MKJIEFSOBYUXJB-HOCLYGCPSA-N
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