Geometry & MOs

Info

ID:	293757
PubChem CID:	117400538
Reduced:	ClO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	258.082286
ΔH_f, kcal/mol:	-173.58
Dipole, Da:	1.46
IP(EA), eV:	-9.3(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-chloro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C=C1Cl)C(C(=O)O)O)OC

DOS

IR

Vibrations