Geometry & MOs

Info

ID:	163370
PubChem CID:	57896960
Reduced:	O3N4C27H28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	479.10692
ΔH_f, kcal/mol:	-22.01
Dipole, Da:	8.41
IP(EA), eV:	-8.63(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-(2-methoxypyridin-3-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC(=CC=C2)/C=C(/C(=N)C3=C(C=CC(=C3)C4=CC(=CC=C4)C(=O)O)N)\N

DOS

IR

Vibrations