Geometry & MOs

Info

ID:	2380
PubChem CID:	7162
Reduced:	Cl3O3H9C10 (1)
Stoich.:	A3B3C9D10 (1)
Weight, g/mol:	281.961727
ΔH_f, kcal/mol:	-134.25
Dipole, Da:	4.42
IP(EA), eV:	-9.16(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4,5-trichlorophenoxy)butanoic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Cl)Cl)Cl)OCCCC(=O)O

DOS

IR

Vibrations