(1S,3R)-1-Methyl-2,3,4,9-Tetrahydro-1H-β-Carboline-3-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C13H14N2O2
IUPAC Name (1s,3r)-1-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ium-9a-ylium-3-carboxylic acid
Molecular Mass 230.262 g·mol−1
Heat of Formation -201.8 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 270.41 Å 3
Surface Area 250.42 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r)-1-methyl-2,3,4,9-tetrahydro-1h-$b-carboline-3-carboxylic acid
  • (1s,3r)-1-methyl-2,3,4,9-tetrahydro-1h-pyrido[5,4-b]indole-3-carboxylic acid
InChIKey ZUPHXNBLQCSEIA-WRWORJQWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N