Geometry & MOs

Info

ID:	282701
PubChem CID:	103936651
Reduced:	ClN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	270.092376
ΔH_f, kcal/mol:	52.92
Dipole, Da:	5.6
IP(EA), eV:	-8.37(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-chloro-5-methylanilino)ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)NC(C)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations