Geometry & MOs

Info

ID:	294788
PubChem CID:	117492134
Reduced:	BrFO4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	305.9903
ΔH_f, kcal/mol:	-193.48
Dipole, Da:	7.46
IP(EA), eV:	-9.02(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C(=C1O)OC)F)Br)C(=O)O

DOS

IR

Vibrations