Geometry & MOs

Info

ID:	10166
PubChem CID:	98400
Reduced:	NCl2O2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	269.001034
ΔH_f, kcal/mol:	-33.23
Dipole, Da:	2.15
IP(EA), eV:	-9.74(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyano-3-(3,4-dichlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=CC(=C(C=C1)Cl)Cl)C#N

DOS

IR

Vibrations