{3-[(2R,6S)-2,6-Dimethyl-1-Piperidinyl]-1,2,3-Oxadiazol-3-Ium-5(4H)-Ylidene}Azanide

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Properties Simple | Detailed

Formula C9H16N4O
IUPAC Name [3-[(2r,6s)-2,6-dimethyl-1-piperidyl]-4h-oxadiazol-3-ium-5-ylidene]azanide
Molecular Mass 196.250 g·mol−1
Heat of Formation 179.4 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 255.08 Å 3
Surface Area 224.17 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 3.03 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(cis-2,6-dimethylpiperidino)sydnone imine
  • [3-[(2s,6r)-2,6-dimethyl-1-piperidinyl]-4h-oxadiazol-3-ium-5-ylidene]azanide
  • [3-[(2s,6r)-2,6-dimethyl-1-piperidyl]-4h-oxadiazol-3-ium-5-ylidene]azanide
  • [3-[(2s,6r)-2,6-dimethylpiperidin-1-yl]-4h-1,2,3-oxadiazol-3-ium-5-ylidene]azanide
  • [3-[(2s,6r)-2,6-dimethylpiperidin-1-yl]-4h-oxadiazol-3-ium-5-ylidene]azanide
  • c 87-3754
  • marsidomine
  • marsidomine (darsidomine)
  • sydnone imine, 3-(2,6-dimethyl-1-piperidinyl)-, cis-
CAS Number(s)
  • 137500-42-6
InChIKey MLFRXXQBXBQMKQ-OCAPTIKFSA-N
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