1-[(2R,3S)-2,3-Dimethyl-1-Aziridinyl]-3-(2-Nitro-1H-Imidazol-1-Yl)-2-Propanol

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Properties Simple | Detailed

Formula C10H16N4O3
IUPAC Name (2s)-1-[(2s,3s)-2,3-dimethylaziridin-1-yl]-3-(2-nitro-4h-imidazol-1-ium-4-id-3-yl)propan-2-ol
Molecular Mass 240.259 g·mol−1
Heat of Formation 37.3 ± 16.7 kJ·mol−1
Dipole Moment 8.26 ± 1.08 D
Volume 288.27 Å 3
Surface Area 266.72 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
InChIKey VKUQQJFQNDTATQ-LOKDSWTASA-N
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