5,6,7,8-Tetrahydro-2H-[1,2]Oxazolo[4,5-D]Azepin-3(4H)-One

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Formula C7H10N2O2
IUPAC Name 5,6,7,8-tetrahydro-4h-isoxazolo[4,5-d]azepin-6-ium-3-olate
Molecular Mass 154.166 g·mol−1
Heat of Formation -116.3 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 177.67 Å 3
Surface Area 174.52 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 2.90 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-isoxazolo(4,5-d)azepin-3(4h)-one, 5,6,7,8-tetrahydro-
  • 5,6,7,8-tetrahydro-2h-isoxazolo(4,5-d)azepin-3(4h)-one
  • 5,6,7,8-tetrahydro-4h-[1,2]oxazolo[4,5-d]azepin-3-one
  • 5,6,7,8-tetrahydro-4h-isoxazolo(4,5-d)azepin-3-ol
  • 5,6,7,8-tetrahydro-4h-isoxazolo[4,5-d]azepin-3-one
  • thaz
CAS Number(s)
  • 53658-58-5
InChIKey KHTRGFVHYPWHIZ-UHFFFAOYSA-N
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