Geometry & MOs

Info

ID:	292910
PubChem CID:	117363739
Reduced:	ClO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	244.066635
ΔH_f, kcal/mol:	-174.65
Dipole, Da:	3.31
IP(EA), eV:	-8.63(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)O)CCCC(=O)O)Cl

DOS

IR

Vibrations