Geometry & MOs

Info

ID:	294551
PubChem CID:	117469961
Reduced:	BrF2O2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	289.99539
ΔH_f, kcal/mol:	-147.83
Dipole, Da:	4.48
IP(EA), eV:	-10.23(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1CC1(C2=C(C=CC(=C2)Br)C(F)F)C(=O)O

DOS

IR

Vibrations