Geometry & MOs

Info

ID:	212468
PubChem CID:	81060608
Reduced:	ClN3C17H18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	299.118925
ΔH_f, kcal/mol:	51.8
Dipole, Da:	5.03
IP(EA), eV:	-8.99(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-chlorophenyl)ethyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(C)C(C)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations