Geometry & MOs

Info

ID:	31965
PubChem CID:	3725848
Reduced:	N3O5H27C30 (1)
Stoich.:	A3B5C27D30 (1)
Weight, g/mol:	318.97788
ΔH_f, kcal/mol:	-99.74
Dipole, Da:	2.87
IP(EA), eV:	-8.45(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2C3=C(CC4N2C(=O)CN(C4=O)CC5=CC6=C(C=C5)OCO6)C7=CC=CC=C7N3

DOS

IR

Vibrations