Geometry & MOs

Info

ID:	28912
PubChem CID:	830553
Reduced:	ClON3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	317.012267
ΔH_f, kcal/mol:	70.67
Dipole, Da:	6.23
IP(EA), eV:	-9.14(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloroanilino)-2-(2-chlorophenyl)-2-oxoethanimidoyl cyanide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NN=C(C#N)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations