(14β)-10,11-Dimethoxy-2,3-Didehydroemetan

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Properties Simple | Detailed

Formula C27H34N2O2
IUPAC Name (5s,11br)-3-ethyl-9,10-dimethoxy-2-[[(1r)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-4,6,7,11b-tetrahydro-1h-benzo[a]quinolizine
Molecular Mass 418.571 g·mol−1
Heat of Formation -131.7 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 525.48 Å 3
Surface Area 437.39 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (11br)-3-ethyl-9,10-dimethoxy-2-[[(1r)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-4,6,7,11b-tetrahydro-1h-pyrido[2,1-a]isoquinoline
InChIKey HDIJLRXRAJUXQB-JWQCQUIFSA-N
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