(2S)-1-(2-Chloro-5-Nitro-4H-Imidazol-1-Ium-4-Id-3-Yl)-3-Methoxy-Propan-2-Ol

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Properties Simple | Detailed

Formula C7H11ClN3O4
IUPAC Name (2s)-1-(2-chloro-5-nitro-4h-imidazol-1-ium-4-id-3-yl)-3-methoxy-propan-2-ol
Molecular Mass 236.633 g·mol−1
Heat of Formation -230.3 ± 16.7 kJ·mol−1
Dipole Moment 10.76 ± 1.08 D
Volume 253.4 Å 3
Surface Area 243.66 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
InChIKey LLIZIARLDBJAAW-YFKPBYRVSA-N
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Elements H C N O Cl