4-[(1R)-1-Aminoethyl]-N-(1H-Pyrrolo[2,3-B]Pyridin-4-Yl)Benzamide

Molecule SVG Image

Properties Simple | Detailed

Formula C16H16N4O
IUPAC Name 4-[(1r)-1-aminoethyl]-n-pyrrolo[2,3-b]pyridin-1-ium-4-yl-benzamide
Molecular Mass 280.324 g·mol−1
Heat of Formation 124.5 ± 16.7 kJ·mol−1
Dipole Moment 5.94 ± 1.08 D
Volume 332.85 Å 3
Surface Area 309.01 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (
  • )
  • ,
  • -
  • 1
  • 2
  • 3
  • 4
  • [
  • ]
  • a
  • b
  • d
  • e
  • h
  • i
  • l
  • m
  • n
  • o
  • p
  • r
  • t
  • y
  • z
InChIKey JTVBXQAYBIJXRP-SNVBAGLBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N