1-Chloro-3-[2-(Hydroxymethyl)-5-Nitro-1H-Imidazol-1-Yl]-2-Propanol

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Properties Simple | Detailed

Formula C7H11ClN3O4
IUPAC Name (2s)-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 -322.2 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 248.46 Å 3
Surface Area 226.99 Å 2
HOMO Energy -10.64 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
InChIKey HQPDFZLULOWRMP-YFKPBYRVSA-N
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Elements H C N O Cl