Geometry & MOs

Info

ID:	293852
PubChem CID:	117405932
Reduced:	ClFO4H10C11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	260.025165
ΔH_f, kcal/mol:	-184.22
Dipole, Da:	4.06
IP(EA), eV:	-9.41(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=C(C(=CC(=C1)F)OC)Cl

DOS

IR

Vibrations