(1S,4R)-2-Azabicyclo[2.2.1]Hept-5-En-3-One

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Properties Simple | Detailed

Formula C6H7NO
IUPAC Name (1r,4s)-3-azabicyclo[2.2.1]hept-5-en-2-one
Molecular Mass 109.126 g·mol−1
Heat of Formation 13.0 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 128.93 Å 3
Surface Area 136.05 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 3.15 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4r)-6-azabicyclo[2.2.1]hept-2-en-5-one
CAS Number(s)
  • 130931-83-8
InChIKey DDUFYKNOXPZZIW-CRCLSJGQSA-N
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