Geometry & MOs

Info

ID:	438332
PubChem CID:	135228065
Reduced:	BrFN2C20H20 (1)
Stoich.:	ABC2D20E20 (1)
Weight, g/mol:	382.165443
ΔH_f, kcal/mol:	37.94
Dipole, Da:	1.62
IP(EA), eV:	-8.41(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyltriazol-4-yl)-1-(dipyridin-2-ylmethyl)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

C/C=C\C=C(/C(=C)C(C1=CC=CC=C1)NC2=C(C=CC(=C2)Br)N)\F

DOS

IR

Vibrations