Geometry & MOs

Info

ID:	293427
PubChem CID:	117388473
Reduced:	FO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	254.095437
ΔH_f, kcal/mol:	-172.8
Dipole, Da:	3.86
IP(EA), eV:	-9.33(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butanoic acid

Drug info:

PubChemData

Smile

COCC1=C(C(=C(C=C1)OC)C2(CC2)C(=O)O)F

DOS

IR

Vibrations