3-[(2S)-1-Nitroso-2-Pyrrolidinyl]Pyridine 1-Oxide

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Properties Simple | Detailed

Formula C9H11N3O2
IUPAC Name 1-hydroxy-3-(1-nitrosopyrrolidin-2-yl)piperidin-1-ium
Molecular Mass 193.203 g·mol−1
Heat of Formation 120.6 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 226.79 Å 3
Surface Area 213.99 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2s)-1-nitroso-2-pyrrolidinyl]-1-oxidopyridin-1-ium
  • 3-[(2s)-1-nitrosopyrrolidin-2-yl]-1-oxido-pyridin-1-ium
  • pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, 1-oxide, (s)-
CAS Number(s)
  • 75195-76-5
InChIKey ZQELURDMDMQXQV-VIFPVBQESA-N
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