(5As,6Ar,11As,13As)-6A-Hydroxy-11A-(2-Methyl-3-Buten-2-Yl)-2,3,6,6A,11,11A-Hexahydro-1H-Pyrrolo[1'',2'':4',5']Pyrazino[1',2':1,5]Pyrrolo[2,3-B]Indole-5,13(5Ah,13Ah)-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C21H25N3O3
IUPAC Name (5as,6ar,11as,13as)-6a-hydroxy-11a-(2-methyl-3-buten-2-yl)-2,3,6,6a,11,11a-hexahydro-1h-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-5,13(5ah,13ah)-dione
Molecular Mass 367.442 g·mol−1
Heat of Formation -375.5 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 432.78 Å 3
Surface Area 330.05 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 23454-27-5
InChIKey YAQYEBABECUWBT-AFMUBRCDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N