17-Norcorynan, 16-(1,2,3,4-Tetrahydro-6,7-Dimethoxy-1-Isoquinolinyl)-

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Formula C29H37N3O2
IUPAC Name (2s,3r,5r,12bs)-2-[[(1r)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-2,3,4,6,7,12b-hexahydro-1h-indolo[2,3-a]quinolizin-12-ium-12a-ylium
Molecular Mass 459.623 g·mol−1
Heat of Formation -114.0 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 571.14 Å 3
Surface Area 483.38 Å 2
HOMO Energy -8.08 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,12bs)-2-[[(1r)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizine
  • (2s,3r,12bs)-2-[[(1r)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carboline
InChIKey OHLRJZOLGDLFBC-LXFCCGDJSA-N
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