3-Chloro-5-Methyl-4-Nitro-Pyrazol-1-Ium-4-Ylium

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Properties Simple | Detailed

Formula C4H4ClN3O2
IUPAC Name 3-chloro-5-methyl-4-nitro-pyrazol-1-ium-4-ylium
Molecular Mass 161.547 g·mol−1
Heat of Formation 113.8 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 159.88 Å 3
Surface Area 163.13 Å 2
HOMO Energy -10.46 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry Cs
InChIKey UYDMDKJWXJHCGE-UHFFFAOYSA-N
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Elements H C N O Cl