2,3-Dihydro-5-[1-(2-Hydroxyethyl)-3-(4-Pyridinyl)-1H-Pyrazol-4-Yl]-1H-Inden-1-One Oxime

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Properties Simple | Detailed

Formula C19H19N4O2
IUPAC Name 5-[1-(2-hydroxyethyl)-3-(3h-pyridin-1-ium-3-id-4-yl)pyrazol-1-ium-2-id-4-yl]indan-1-one oxime
Molecular Mass 335.380 g·mol−1
Heat of Formation 201.1 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 397.16 Å 3
Surface Area 354.21 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(1e)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-yl-pyrazol-1-yl]ethanol
  • 2-[4-[(1e)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethanol
  • 5-[1-(2-hydroxyethyl)-3-(4-pyridyl)-4-pyrazolyl]-1-indanone oxime
  • 5-[1-(2-hydroxyethyl)-3-(4-pyridyl)pyrazol-4-yl]indan-1-one oxime
InChIKey DEZZLWQELQORIU-RELWKKBWSA-N
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