Geometry & MOs

Info

ID:	264200
PubChem CID:	103440257
Reduced:	ClF2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	249.996363
ΔH_f, kcal/mol:	-278.86
Dipole, Da:	7.7
IP(EA), eV:	-9.14(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-4-(4-chloro-2-fluorophenyl)butanoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(CCC(=O)O)Cl)OC(F)F

DOS

IR

Vibrations