Geometry & MOs

Info

ID:	199656
PubChem CID:	79277374
Reduced:	ClN4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	296.082874
ΔH_f, kcal/mol:	75.31
Dipole, Da:	5.2
IP(EA), eV:	-8.69(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=NN(C2=C1N=C(N2C3=CC=CC=C3C(C)C)CCl)C

DOS

IR

Vibrations