Geometry & MOs

Info

ID:	292739
PubChem CID:	117357557
Reduced:	F2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	242.111836
ΔH_f, kcal/mol:	-185.86
Dipole, Da:	4.48
IP(EA), eV:	-9.82(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-fluoro-2-(1-fluoroethyl)phenyl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1)F)F)C(C)(C)CC(=O)O

DOS

IR

Vibrations