Geometry & MOs

Info

ID:	199733
PubChem CID:	79288916
Reduced:	ON4C9H14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	268.051574
ΔH_f, kcal/mol:	-4.34
Dipole, Da:	4.1
IP(EA), eV:	-8.36(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1CC(=O)NC2=C(NN(C2=N1)C)C

DOS

IR

Vibrations