Geometry & MOs

Info

ID:	263070
PubChem CID:	103338258
Reduced:	BrFO3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	252.040957
ΔH_f, kcal/mol:	-146.05
Dipole, Da:	3.96
IP(EA), eV:	-9.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]propanoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)OC1=C(C=CC(=C1)Br)F

DOS

IR

Vibrations