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

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Properties Simple | Detailed

Formula C7H4ClN3O4+
IUPAC Name 2-chloroethynyl 1-oxido-3,6-dihydro-1h-imidazo[5,1-c][1,2,4]oxadiazole-1,4-diium-5-carboxylate
Molecular Mass 229.577 g·mol−1
Heat of Formation 658.9 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 220.01 Å 3
Surface Area 205.71 Å 2
HOMO Energy -10.46 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
InChIKey HQPDFZLULOWRMP-RXMQYKEDSA-N
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Elements C N O Cl