(4Ar,5As,6S,8As,13As,15As,15Br)-10,11-Dimethoxy-6-Oxido-4A,5,5A,7,8,13A,15,15A,15B,16-Decahydro-2H-4,6-Methanoindolo[3,2,1-Ij]Oxepino[2,3,4-De]Pyrrolo[2,3-H]Quinoline-6-Ium-14-One

Molecule SVG Image

Properties Simple | Detailed

Formula C23H27N2O5+
IUPAC Name (4ar,5as,6s,8as,13as,15as,15br)-10,11-dimethoxy-6-oxido-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2h-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-6-ium-14-one
Molecular Mass 411.471 g·mol−1
Heat of Formation -218.2 ± 16.7 kJ·mol−1
Dipole Moment 7.30 ± 1.08 D
Volume 454.68 Å 3
Surface Area 359.31 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 3.02 ± eV
Point Group Symmetry C1
InChIKey AHPQUGCJFBLLRL-FOLRAUNTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N