Geometry & MOs

Info

ID:	150076
PubChem CID:	53789762
Reduced:	OSN3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	444.09496
ΔH_f, kcal/mol:	-15.6
Dipole, Da:	3.71
IP(EA), eV:	-8.85(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(6-bromo-5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzonitrile

Drug info:

PubChemData

Smile

CCC(=O)NN=C(C)C1=C(N=C(S1)C)C

DOS

IR

Vibrations