Geometry & MOs

Info

ID:	207543
PubChem CID:	80412093
Reduced:	NC5H5 (3)
Stoich.:	AB5C5 (3)
Weight, g/mol:	271.087625
ΔH_f, kcal/mol:	74.39
Dipole, Da:	4.38
IP(EA), eV:	-8.23(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-4-chlorophenyl)methyl-methylamino]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(C)C2=CC=CC=C2C#N)N

DOS

IR

Vibrations