Geometry & MOs

Info

ID:	24687
PubChem CID:	612241
Reduced:	ClN2H9C12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	216.045426
ΔH_f, kcal/mol:	80.37
Dipole, Da:	5.01
IP(EA), eV:	-9.99(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-chlorophenyl)propylidene]propanedinitrile

Drug info:

PubChemData

Smile

CCC(=C(C#N)C#N)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations