3-(2H-Tetrazol-5-Ylamino)-2-Cyclohexen-1-One

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Formula C7H9N5O
IUPAC Name 3-(2,3-diaza-1-azonia-4-azanidacyclopenta-2,5-dien-5-ylamino)cyclohex-2-en-1-one
Molecular Mass 179.179 g·mol−1
Heat of Formation 200.7 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 201.87 Å 3
Surface Area 199.09 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2h-1,2,3,4-tetrazol-5-ylamino)cyclohex-2-en-1-one
  • 3-(2h-tetrazol-5-ylamino)-1-cyclohex-2-enone
  • 3-(2h-tetrazol-5-ylamino)cyclohex-2-en-1-one
  • cyclohex-2-enone, 3-(2h-tetrazol-5-ylamino)-
InChIKey REZXFQGPXQJVJG-UHFFFAOYSA-N
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