Geometry & MOs

Info

ID:	24685
PubChem CID:	612198
Reduced:	ClN2H13C15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	256.076726
ΔH_f, kcal/mol:	64.95
Dipole, Da:	3.89
IP(EA), eV:	-8.68(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloroanilino)-3-phenylpropanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC#N)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations