(2R)-1-Chloro-3-[2-(Hydroxymethyl)-5-Nitro-Imidazol-3-Ium-5-Id-1-Yl]Propan-2-Ol

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Properties Simple | Detailed

Formula C7H11ClN3O4
IUPAC Name (2r)-1-chloro-3-[2-(hydroxymethyl)-5-nitro-imidazol-3-ium-5-id-1-yl]propan-2-ol
Molecular Mass 236.633 g·mol−1
Heat of Formation -331.5 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 249.24 Å 3
Surface Area 225.87 Å 2
HOMO Energy -10.36 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
InChIKey RYEUJFWTSYRXLQ-YFKPBYRVSA-N
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Elements H C N O Cl