Geometry & MOs

Info

ID:	292740
PubChem CID:	117357560
Reduced:	F2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	242.111836
ΔH_f, kcal/mol:	-186.98
Dipole, Da:	2.89
IP(EA), eV:	-10.02(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-difluoro-3,6-dimethylphenyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1F)C(C)(C)CC(=O)O)F

DOS

IR

Vibrations