4-Chloro-1-Methyl-5-Nitro-Imidazol-3-Ium-5-Ide

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Properties Simple | Detailed

Formula C4H5ClN3O2
IUPAC Name 4-chloro-1-methyl-5-nitro-imidazol-3-ium-5-ide
Molecular Mass 162.554 g·mol−1
Heat of Formation 114.2 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 160.86 Å 3
Surface Area 163.18 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy 1.63 ± eV
Point Group Symmetry Cs
InChIKey ZJBCOXCOYNXXNR-UHFFFAOYSA-N
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Elements H C N O Cl