4-Ethyl-5-Methyl-2-(2H-Tetrazol-5-Yl)-1,2-Dihydro-3H-Pyrazol-3-One

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Properties Simple | Detailed

Formula C7H10N6O
IUPAC Name 2-(2,3-diaza-1-azonia-4-azanidacyclopenta-2,5-dien-5-yl)-4-ethyl-5-methyl-pyrazol-1-ium-4-id-3-one
Molecular Mass 194.194 g·mol−1
Heat of Formation 293.5 ± 16.7 kJ·mol−1
Dipole Moment 10.39 ± 1.08 D
Volume 224.25 Å 3
Surface Area 216.74 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
Synonyms
  • 4-ethyl-5-methyl-2-(2h-1,2,3,4-tetrazol-5-yl)-1h-pyrazol-3-one
  • 4-ethyl-5-methyl-2-(2h-tetrazol-5-yl)-1h-pyrazol-3-one
InChIKey WAVWUEFMWJZZFB-UHFFFAOYSA-N
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