(5S,11As)-5-(3,4,5-Trimethoxyphenyl)-5,6,11,11A-Tetrahydro-1H-[1,3]Oxazolo[3',4':1,6]Pyrido[3,4-B]Indol-3-One

Molecule SVG Image

Properties Simple | Detailed

Formula C22H22N2O5
IUPAC Name (5s,11as)-5-(3,4,5-trimethoxyphenyl)-5,6,11,11a-tetrahydro-1h-[1,3]oxazolo[3',4':1,6]pyrido[3,4-b]indol-3-one
Molecular Mass 394.420 g·mol−1
Heat of Formation -491.4 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 447.31 Å 3
Surface Area 378.3 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • 0
  • 4
  • 5
  • 8
  • _
  • c
  • e
  • h
  • i
  • m
  • n
InChIKey SCLLIEKCYQJGGW-RBZFPXEDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N