3-Quinuclidinone

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Properties Simple | Detailed

Formula C7H11NO
IUPAC Name quinuclidin-3-one
Molecular Mass 125.168 g·mol−1
Heat of Formation -156.0 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 157.72 Å 3
Surface Area 155.08 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 3.74 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-azabicyclo(2.2.2)octan-3-one
  • 1-azabicyclo[2.2.2]octan-3-one
  • 3-oxoquinuclidine
  • 3-quinuclidone
  • mkc-2
  • quinuclidone
CAS Number(s)
  • 29924-73-0
  • 3731-38-2
  • 82737-04-0
InChIKey ZKMZPXWMMSBLNO-UHFFFAOYSA-N
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