2,10-Dimethoxy-6Aa-Aporphine-1,11-Diol

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Properties Simple | Detailed

Formula C19H21NO4
IUPAC Name (7s,8s)-2,13-dimethoxy-7-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-1,14-diol
Molecular Mass 327.374 g·mol−1
Heat of Formation -470.8 ± 16.7 kJ·mol−1
Dipole Moment 1.60 ± 1.08 D
Volume 380.86 Å 3
Surface Area 328.7 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-dibenzo(de,g)quinoline-1,11-diol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-, (s)-
CAS Number(s)
  • 517-56-6
InChIKey WHFUDAOCYRYAKQ-LBPRGKRZSA-N
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