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

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Properties Simple | Detailed

Formula C6H11N3O6P
IUPAC Name 2-(2-methyl-5-nitro-imidazol-3-ium-5-id-1-yl)ethyl dihydrogen phosphate
Molecular Mass 252.142 g·mol−1
Heat of Formation -951.9 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 259.97 Å 3
Surface Area 237.07 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey ODCZJQJTMSQVRR-UHFFFAOYSA-N
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