Geometry & MOs

Info

ID:	163371
PubChem CID:	57897220
Reduced:	BrON7C22H22 (1)
Stoich.:	ABC7D22E22 (1)
Weight, g/mol:	528.13856
ΔH_f, kcal/mol:	101.32
Dipole, Da:	6.63
IP(EA), eV:	-9.14(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)C2=NC3=NC=C(C(=C3N2)N4CCN(CC4)CC5=CN=CC=C5)Br

DOS

IR

Vibrations