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

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Formula C19H21NO4
IUPAC Name (12as)-9,10-dimethoxy-1-methyl-2,3,12,12a-tetrahydro-1h-[1]benzoxepino[2,3,4-ij]isoquinolin-6-ol
Molecular Mass 327.374 g·mol−1
Heat of Formation -412.8 ± 16.7 kJ·mol−1
Dipole Moment 1.51 ± 1.08 D
Volume 382.26 Å 3
Surface Area 332.06 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • cularidine
CAS Number(s)
  • 5140-50-1
InChIKey ITGZZZYNPULRNZ-ZDUSSCGKSA-N
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