Geometry & MOs

Info

ID:	199824
PubChem CID:	79302736
Reduced:	BrClN3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	400.8753
ΔH_f, kcal/mol:	31.53
Dipole, Da:	4.37
IP(EA), eV:	-9.36(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-(3-bromophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=NC2=C1N=CC(=C2)Br)CCl

DOS

IR

Vibrations