(2R,3R,11Br)-3-Isobutyl-9,10-Dimethoxy-1,3,4,6,7,11B-Hexahydro-2H-Pyrido[2,1-A]Isoquinolin-2-Ol

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Properties Simple | Detailed

Formula C19H29NO3
IUPAC Name (2r,3r,5s,11br)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-benzo[a]quinolizin-2-ol
Molecular Mass 319.438 g·mol−1
Heat of Formation -513.9 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 409.72 Å 3
Surface Area 349.36 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,11br)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-pyrido[2,1-a]isoquinolin-2-ol
  • (2r,3r,11br)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1h-pyrido[2,1-a]isoquinolin-2-ol
InChIKey WEQLWGNDNRARGE-DJIMGWMZSA-N
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