(2S)-1-(2-Nitro-1H-Imidazol-1-Yl)-3-(1-Piperidinyl)-2-Propanol

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Properties Simple | Detailed

Formula C11H19N4O3
IUPAC Name (2s)-1-(2-nitro-4h-imidazol-1-ium-4-id-3-yl)-3-(1-piperidyl)propan-2-ol
Molecular Mass 255.294 g·mol−1
Heat of Formation -65.7 ± 16.7 kJ·mol−1
Dipole Moment 6.32 ± 1.08 D
Volume 308.68 Å 3
Surface Area 262.65 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-(2-nitro-1-imidazolyl)-3-(1-piperidyl)propan-2-ol
  • (2s)-1-(2-nitroimidazol-1-yl)-3-(1-piperidyl)propan-2-ol
  • (2s)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-yl-propan-2-ol
  • (2s)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol
  • (2s)-1-(2-nitroimidazol-1-yl)-3-piperidino-propan-2-ol
InChIKey WVWOOAYQYLJEFD-JTQLQIEISA-N
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