(1R,3S)-1-(Hydroxymethyl)-2,3,4,9-Tetrahydro-1H-β-Carbolin-2-Ium-3-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C13H14N2O3
IUPAC Name (1r,3s)-1-(hydroxymethyl)-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indole-3-carboxylic acid
Molecular Mass 246.262 g·mol−1
Heat of Formation -384.5 ± 16.7 kJ·mol−1
Dipole Moment 1.18 ± 1.08 D
Volume 283.02 Å 3
Surface Area 258.17 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s)-1-methylol-1,3,4,9-tetrahydro-$b-carbolin-2-ium-3-carboxylate
InChIKey LDAVCJCEEGGHMQ-QWRGUYRKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N