2,6-Dinitro-1H-Benzimidazol-3-Ium-7A-Ide

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Properties Simple | Detailed

Formula C7H5N4O4
IUPAC Name 2,6-dinitro-1h-benzimidazol-3-ium-7a-ide
Molecular Mass 209.139 g·mol−1
Heat of Formation 240.9 ± 16.7 kJ·mol−1
Dipole Moment 0.99 ± 1.08 D
Volume 207.7 Å 3
Surface Area 205.27 Å 2
HOMO Energy -10.57 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry Cs
InChIKey XMWSULSADHWFNO-UHFFFAOYSA-N
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