Iso-Schizogaline

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Properties Simple | Detailed

Formula C20H22N2O2
IUPAC Name iso-schizogaline
Molecular Mass 322.401 g·mol−1
Heat of Formation -153.4 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 374.12 Å 3
Surface Area 304.25 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy 3.37 ± eV
Point Group Symmetry C1
Synonyms
  • 6,12b,12a-[1,1,3]propanetriyl-3h,4h-3a,10b-diazabenzo[7,8]cyclooct[1,2,3-cd]inden-11(12h)-one, 5,6-dihydro-9-methoxy-, (6r,12as,12bs,13r)-
  • isoschizogaline
  • rel-(6r,12as,12bs,13r)-9-methoxy-5,6-dihydro-3h,4h-6,12b,12a-(propane[1,1,3]triyl)-3a,10b-diazabenzo[7,8]cycloocta[1,2,3-cd]inden-11-one
InChIKey GHZIYRPRBMQWSP-ZXUOCUECSA-N
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