Geometry & MOs

Info

ID:	145084
PubChem CID:	53458704
Reduced:	NCl2O4H16C24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	379.964801
ΔH_f, kcal/mol:	8.57
Dipole, Da:	9.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.922722
Charge, e:	-1

Chem-info

IUPAC name:

2-[2,6-dichloro-4-[2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]acetate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)Cl)Cl)OCC3=CC(=CC=C3)C(=O)[O-]

DOS

IR

Vibrations