Geometry & MOs

Info

ID:	282700
PubChem CID:	103936647
Reduced:	ClN3C17H20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	270.092376
ΔH_f, kcal/mol:	28.51
Dipole, Da:	2.98
IP(EA), eV:	-8.41(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-chloro-5-methylanilino)ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)NC2CCN(CC2)C3=CC=CC=N3

DOS

IR

Vibrations