3,5-Dimethyl-4-Nitro-1H-Pyrazole

Molecule SVG Image

Properties Simple | Detailed

Formula C5H7N3O2
IUPAC Name 3,5-dimethyl-4-nitro-pyrazol-1-ium-2-ide
Molecular Mass 141.128 g·mol−1
Heat of Formation 81.5 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 158.68 Å 3
Surface Area 162.19 Å 2
HOMO Energy -10.42 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-pyrazole, 3,5-dimethyl-4-nitro-
  • 3,5-dimethyl-4-nitropyrazole
  • ae-848/30862024
  • bas 00349327
  • pyrazole, 3,5-dimethyl-4-nitro-
  • zero/008628
CAS Number(s)
  • 14531-55-6
InChIKey OFQCJVVJRNPSET-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N