N-[2-(2-Methyl-5-Nitro-Imidazol-3-Ium-5-Id-1-Yl)Ethyl]-4-(2-Nitro-4H-Imidazol-1-Ium-4-Id-3-Yl)Butanamide

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Properties Simple | Detailed

Formula C13H19N7O5
IUPAC Name n-[2-(2-methyl-5-nitro-imidazol-3-ium-5-id-1-yl)ethyl]-4-(2-nitro-4h-imidazol-1-ium-4-id-3-yl)butanamide
Molecular Mass 353.334 g·mol−1
Heat of Formation 20.6 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 394.55 Å 3
Surface Area 331.34 Å 2
HOMO Energy -10.15 ± 0.55 eV
LUMO Energy 1.71 ± eV
Point Group Symmetry C1
InChIKey CRCDYPCFXBDCDM-UHFFFAOYSA-N
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