Pyrazolo[1,5-A]Pyrimidine-3-Carbonitrile

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Properties Simple | Detailed

Formula C7H4N4
IUPAC Name 2h-pyrazolo[1,5-a]pyrimidin-8-ium-2-ylium-3-carbonitrile
Molecular Mass 144.133 g·mol−1
Heat of Formation 484.1 ± 16.7 kJ·mol−1
Dipole Moment 6.79 ± 1.08 D
Volume 137.28 Å 3
Surface Area 170.26 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-pyrazolo[1,5-a]pyrimidinecarbonitrile
  • zero/006217
InChIKey RRHORVAOECWFPT-UHFFFAOYSA-N
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Elements H C N