Geometry & MOs

Info

ID:	28913
PubChem CID:	830591
Reduced:	OCl2N3H9C15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	331.027917
ΔH_f, kcal/mol:	67.22
Dipole, Da:	1.6
IP(EA), eV:	-9.37(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)C(=NNC2=CC(=CC=C2)Cl)C#N)Cl

DOS

IR

Vibrations