2-(2-Methyl-5-Nitro-Imidazol-3-Ium-5-Id-1-Yl)Ethyl Benzoate

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Properties Simple | Detailed

Formula C13H14N3O4
IUPAC Name 2-(2-methyl-5-nitro-imidazol-3-ium-5-id-1-yl)ethyl benzoate
Molecular Mass 276.268 g·mol−1
Heat of Formation -154.9 ± 16.7 kJ·mol−1
Dipole Moment 6.75 ± 1.08 D
Volume 309.39 Å 3
Surface Area 284.65 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
InChIKey WTCUQKOETZORQM-UHFFFAOYSA-N
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