9-Ethyl-6-Oxo-6,9-Dihydro-2H-[1,2,3]Triazolo[4,5-H]Quinoline-7-Carboxylic Acid

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Properties Simple | Detailed

Formula C12H10N4O3
IUPAC Name 9-ethyl-6-oxo-2h-pyrido[6,5-e]benzotriazole-7-carboxylic acid
Molecular Mass 258.233 g·mol−1
Heat of Formation 1618.2 ± 16.7 kJ·mol−1
Dipole Moment 6.14 ± 1.08 D
Volume 273.3 Å 3
Surface Area 256.57 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -4.08 ± eV
Point Group Symmetry C1
Synonyms
  • 9-ethyl-6-keto-2h-pyrido[6,5-e]benzotriazole-7-carboxylic acid
  • 9-ethyl-6-oxo-2h-pyrido[6,5-e]benzotriazole-7-carboxylic acid
InChIKey ZLSMOIFEDNNGSC-UHFFFAOYSA-N
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