1,4-Dinitro-2H-Imidazol-1-Ium-2-Ylium

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Properties Simple | Detailed

Formula C3H4N4O4
IUPAC Name 1,4-dinitro-2h-imidazol-1-ium-2-ylium
Molecular Mass 160.088 g·mol−1
Heat of Formation 222.5 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 153.56 Å 3
Surface Area 159.68 Å 2
HOMO Energy -11.26 ± 0.55 eV
LUMO Energy 0.93 ± eV
Point Group Symmetry Cs
InChIKey ITPZFBUHBXZDJL-UHFFFAOYSA-N
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