3-(2H-Tetrazol-5-Yl)-1,4,5,6-Tetrahydrocyclopenta[C]Pyrazole

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Properties Simple | Detailed

Formula C7H8N6
IUPAC Name 3-(2h-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
Molecular Mass 176.179 g·mol−1
Heat of Formation 540.6 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 196.64 Å 3
Surface Area 195.44 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-(2h-1,2,3,4-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
InChIKey LTQYSJKGRPGMPO-UHFFFAOYSA-N
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Elements H C N