Geometry & MOs

Info

ID:	199821
PubChem CID:	79302190
Reduced:	BrClN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	332.97021
ΔH_f, kcal/mol:	47.72
Dipole, Da:	3.16
IP(EA), eV:	-9.33(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-(1-chloroethyl)-3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CC(C1=NC2=C(N1C3CC3(C)C)N=CC(=C2)Br)Cl

DOS

IR

Vibrations