Geometry & MOs

Info

ID:	199777
PubChem CID:	79294282
Reduced:	BrClN3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	272.082874
ΔH_f, kcal/mol:	64.99
Dipole, Da:	2.14
IP(EA), eV:	-8.73(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-3-(1-pyridin-3-ylethyl)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CC(C1=NC2=C(N1C3=CC=CC=C3Br)N=CC=C2)Cl

DOS

IR

Vibrations