(2R)-1-(1-Aziridinyl)-3-(2-Nitro-1H-Imidazol-1-Yl)-2-Propanol

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Properties Simple | Detailed

Formula C8H13N4O3
IUPAC Name (2r)-1-(aziridin-1-yl)-3-(2-nitro-4h-imidazol-1-ium-4-id-3-yl)propan-2-ol
Molecular Mass 213.214 g·mol−1
Heat of Formation 94.6 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 244.27 Å 3
Surface Area 229.88 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy 1.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-1-(1-aziridinyl)-3-(2-nitro-1-imidazolyl)propan-2-ol
  • (2r)-1-(aziridin-1-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol
  • (2r)-1-ethylenimino-3-(2-nitroimidazol-1-yl)propan-2-ol
InChIKey OEWYWFJWBZNJJG-SSDOTTSWSA-N
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