Diazabicyclo(2.2.2)Octane

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Properties Simple | Detailed

Formula C6H12N2
IUPAC Name 1,2-diazabicyclo[2.2.2]octane
Molecular Mass 112.173 g·mol−1
Heat of Formation 72.5 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 149.32 Å 3
Surface Area 147.29 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 5.59 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-diazabicyclo(2.2.2)octane
  • 1,7-diazabicyclo[2.2.2]octane
CAS Number(s)
  • 329-94-2
InChIKey QVCUKHQDEZNNOC-UHFFFAOYSA-N
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Elements H C N