B-Cce

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Properties Simple | Detailed

Formula C14H12N2O2
IUPAC Name ethyl pyrido[3,4-b]indol-9-ium-3-carboxylate
Molecular Mass 240.257 g·mol−1
Heat of Formation -81.6 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 277.34 Å 3
Surface Area 267.7 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry Cs
Synonyms
  • .beta.-carboline-3-carboxylic acid ethyl ester
  • 9h-$b-carboline-3-carboxylic acid ethyl ester
  • 9h-pyrido(3,4-b)indole-3-carboxylic acid, ethyl ester
  • 9h-pyrido[5,4-b]indole-3-carboxylic acid ethyl ester
  • beta-carboline-3-carboxylic acid ethyl ester
  • beta-cce
  • biomol-nt_000276
  • bpbio1_001145
  • ethyl 9h-pyrido(3,4-b)indole-3-carboxylate
  • ethyl 9h-pyrido[3,4-b]indole-3-carboxylate
  • ethyl beta-carboline-3-carboxylate
  • oprea1_109443
  • pdsp1_001750
  • pdsp1_001760
  • pdsp2_001733
  • pdsp2_001743
  • ro 15-2538
  • sr-01000632490-1
CAS Number(s)
  • 74214-62-3
InChIKey KOVRZNUMIKACTB-UHFFFAOYSA-N
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