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

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Properties Simple | Detailed

Formula C7H10N2O2
IUPAC Name 5,6,7,8-tetrahydro-4h-isoxazolo[3,4-d]azepin-3-one
Molecular Mass 154.166 g·mol−1
Heat of Formation -122.0 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 177.86 Å 3
Surface Area 174.32 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4,5,6,7,8-hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one
  • 1,4,5,6,7,8-hexahydroisoxazolo[3,4-d]azepin-3-one
  • 4h-isoxazolo(3,4-d)azepin-3-ol, 5,6,7,8-tetrahydro-
  • iso-thaz
  • isothaz
CAS Number(s)
  • 58893-45-1
InChIKey HJYDVFJJXSVJQI-UHFFFAOYSA-N
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