Geometry & MOs

Info

ID:	293137
PubChem CID:	117374737
Reduced:	ClON2F3H4C9 (1)
Stoich.:	ABC2D3E4F9 (1)
Weight, g/mol:	248.041564
ΔH_f, kcal/mol:	-92.92
Dipole, Da:	2.89
IP(EA), eV:	-9.52(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-chloro-2-(difluoromethyl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

C1=C(ON=C1N)C2=C(C(=CC(=C2F)Cl)F)F

DOS

IR

Vibrations