(12As)-6,9,10-Trimethoxy-1-Methyl-2,3,12,12A-Tetrahydro-1H-[1]Benzoxepino[2,3,4-Ij]Isoquinoline

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Formula C20H23NO4
IUPAC Name (12as)-6,9,10-trimethoxy-1-methyl-2,3,12,12a-tetrahydro-1h-[1]benzoxepino[2,3,4-ij]isoquinoline
Molecular Mass 341.401 g·mol−1
Heat of Formation -395.9 ± 16.7 kJ·mol−1
Dipole Moment 1.57 ± 1.08 D
Volume 401.42 Å 3
Surface Area 346.08 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 3.05 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-(1)benzoxepino(2,3,4-ij)isoquinoline, 2,3,12,12a-tetrahydro-6,9,10-trimethoxy-1-methyl-, (s)-
  • 1h-[1]benzoxepino[2,3,4-ij]isoquinoline, 2,3,12,12a-tetrahydro-6,9,10-trimethoxy-1-methyl-
  • 6,9,10-trimethoxy-1-methyl-2,3,12,12a-tetrahydro-1h-[1]benzoxepino[2,3,4-ij]isoquinoline
  • cularine
CAS Number(s)
  • 479-39-0
InChIKey DTMXRZMJFCVJQS-AWEZNQCLSA-N
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