Geometry & MOs

Info

ID:	6766
PubChem CID:	69901
Reduced:	Cl3O3H7C9 (1)
Stoich.:	A3B3C7D9 (1)
Weight, g/mol:	267.946077
ΔH_f, kcal/mol:	-131.15
Dipole, Da:	5.08
IP(EA), eV:	-10.07(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4,6-trichlorophenoxy)propanoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Cl)OCCC(=O)O)Cl)Cl

DOS

IR

Vibrations