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

Molecule SVG Image

Properties Simple | Detailed

Formula C7H10N2O2
IUPAC Name 1,4,5,6,7,8-hexahydroisoxazolo[4,3-c]azepin-3-one
Molecular Mass 154.166 g·mol−1
Heat of Formation -112.7 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 177.53 Å 3
Surface Area 174.68 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4,5,6,7,8-hexahydro-[1,2]oxazolo[4,3-c]azepin-3-one
  • 1,4,5,6,7,8-hexahydroisoxazolo[4,3-c]azepin-3-one
  • 4h-isoxazolo(4,3-c)azepin-3-ol, 5,6,7,8-tetrahydro-
  • 5,6,7,8-tetrahydro-4h-isoxazolo(4,3-c)azepin-3-ol
  • iso-thao
CAS Number(s)
  • 98977-43-6
InChIKey KZHXNBMVECAIKX-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N