(12As)-5,8,10-Trimethoxy-1-Methyl-2,3,12,12A-Tetrahydro-1H-[1]Benzoxepino[2,3,4-Ij]Isoquinoline

Molecule SVG Image

Properties Simple | Detailed

Formula C20H23NO4
IUPAC Name (12as)-5,8,10-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 -443.7 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 399.64 Å 3
Surface Area 346.69 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-(1)benzoxepino(2,3,4-ij)isoquinoline, 2,3,12,12a-tetrahydro-5,8,10-trimethoxy-1-methyl-, (s)-
  • fissistigine c
CAS Number(s)
  • 83685-19-2
InChIKey KXSQCYVMSJZRRS-INIZCTEOSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N