Geometry & MOs

Info

ID:	197904
PubChem CID:	79014392
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	200.064886
ΔH_f, kcal/mol:	-87.42
Dipole, Da:	0.35
IP(EA), eV:	-8.67(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-8,9-difluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

Drug info:

PubChemData

Smile

CCCC1=CC2=C(C=C1)OCC[C@@H]2O

DOS

IR

Vibrations