Geometry & MOs

Info

ID:	338285
PubChem CID:	127258977
Reduced:	NCl2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	366.055628
ΔH_f, kcal/mol:	-149.89
Dipole, Da:	3.08
IP(EA), eV:	-9.02(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4,5-trichlorophenoxy)octyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CCN(C(C1)(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations