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

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Properties Simple | Detailed

Formula C13H18N6O6
IUPAC Name [2-(2-methyl-5-nitro-4h-imidazol-1-ium-4-id-3-yl)-1-[(2-methyl-5-nitro-4h-imidazol-1-ium-4-id-3-yl)methyl]ethyl] acetate
Molecular Mass 354.319 g·mol−1
Heat of Formation -178.4 ± 16.7 kJ·mol−1
Dipole Moment 9.69 ± 1.08 D
Volume 401.64 Å 3
Surface Area 336.48 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
InChIKey PWLNUFCTGUCJPW-UHFFFAOYSA-N
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