(2S,5S)-5-Amino-4-Oxo-1,2,4,5,6,7-Hexahydroazepino[3,2,1-Hi]Indole-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C13H14N2O3
IUPAC Name (2s,5s)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid
Molecular Mass 246.262 g·mol−1
Heat of Formation -439.6 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 280.53 Å 3
Surface Area 246.67 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • ,
  • -
  • 1
  • 2
  • 3
  • 4
  • 5
  • 6
  • 7
  • [
  • ]
  • a
  • b
  • c
  • d
  • e
  • h
  • i
  • l
  • m
  • n
  • o
  • p
  • r
  • x
  • y
  • z
InChIKey KCYCGNHQFGTGSS-UWVGGRQHSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N