Geometry & MOs

Info

ID:	199773
PubChem CID:	79293999
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	305.048653
ΔH_f, kcal/mol:	-51.97
Dipole, Da:	1.26
IP(EA), eV:	-8.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-3-[1-(4-chlorophenyl)ethyl]imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CCOC(=O)CCCN1C2=NC=CC(=C2N=C1N)C

DOS

IR

Vibrations