Geometry & MOs

Info

ID:	294630
PubChem CID:	117475574
Reduced:	BrFO5H8C9 (1)
Stoich.:	ABC5D8E9 (1)
Weight, g/mol:	293.97031
ΔH_f, kcal/mol:	-230.2
Dipole, Da:	2.27
IP(EA), eV:	-9.52(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-2,4-difluoro-3-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC(=C(C(=C1O)O)F)Br)O

DOS

IR

Vibrations