(6S)-4,5,6,7-Tetrahydro-3H-Imidazo[4,5-C]Pyridine-6-Carboxylic Acid

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Properties Simple | Detailed

Formula C7H9N3O2
IUPAC Name (6s)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-ium-3a-ylium-6-carboxylic acid
Molecular Mass 167.165 g·mol−1
Heat of Formation -218.8 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 188.9 Å 3
Surface Area 185.41 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (6s)-3,4,6,7-tetrahydroimidazo[4,5-d]pyridin-5-ium-6-carboxylate
CAS Number(s)
  • 59981-63-4
InChIKey YCFJXOFFQLPCHD-YFKPBYRVSA-N
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