Geometry & MOs

Info

ID:	338286
PubChem CID:	127258978
Reduced:	Cl3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	332.0946
ΔH_f, kcal/mol:	-166.07
Dipole, Da:	2.58
IP(EA), eV:	-9.04(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenoxy)octyl acetate

Drug info:

PubChemData

Smile

CCCCCCC(COC(=O)C)OC1=CC(=C(C=C1Cl)Cl)Cl

DOS

IR

Vibrations