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

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Properties Simple | Detailed

Formula C4H5ClN3O2
IUPAC Name 5-chloro-1-methyl-4-nitro-imidazol-3-ium-5-ide
Molecular Mass 162.554 g·mol−1
Heat of Formation 123.5 ± 16.7 kJ·mol−1
Dipole Moment 8.81 ± 1.08 D
Volume 161.27 Å 3
Surface Area 164.26 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry Cs
InChIKey ZEYAPHDYLRZEIN-UHFFFAOYSA-N
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Elements H C N O Cl