Geometry & MOs

Info

ID:	263739
PubChem CID:	103394157
Reduced:	BrClO2F3H7C14 (1)
Stoich.:	ABC2D3E7F14 (1)
Weight, g/mol:	304.01104
ΔH_f, kcal/mol:	-166.15
Dipole, Da:	4.57
IP(EA), eV:	-9.63(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2F)Cl)F)Br)F

DOS

IR

Vibrations