(2S,5S)-8-Butyl-5-(Hydroxymethyl)-2-Isopropyl-1-Methyl-1,2,4,5,6,8-Hexahydro-3H-[1,4]Diazonino[7,6,5-Cd]Indol-3-One

Molecule SVG Image

Properties Simple | Detailed

Formula C21H31N3O2
IUPAC Name (2s,5s)-8-butyl-5-(hydroxymethyl)-2-isopropyl-1-methyl-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one
Molecular Mass 357.490 g·mol−1
Heat of Formation -303.4 ± 16.7 kJ·mol−1
Dipole Moment 6.50 ± 1.08 D
Volume 463.4 Å 3
Surface Area 376.0 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 99442-64-5
InChIKey HBJYMKZEYBFWQO-JXFKEZNVSA-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