5-Methoxy-1-Methyl-4-Nitro-2H-Imidazol-1-Ium-2-Ylium

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Properties Simple | Detailed

Formula C5H8N3O3
IUPAC Name 5-methoxy-1-methyl-4-nitro-2h-imidazol-1-ium-2-ylium
Molecular Mass 158.135 g·mol−1
Heat of Formation -12.4 ± 16.7 kJ·mol−1
Dipole Moment 8.29 ± 1.08 D
Volume 171.07 Å 3
Surface Area 173.35 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
InChIKey SFODHBOLVIJBOD-UHFFFAOYSA-N
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