Geometry & MOs

Info

ID:	199764
PubChem CID:	79292751
Reduced:	ClN3C16H22 (1)
Stoich.:	AB3C16D22 (1)
Weight, g/mol:	272.082874
ΔH_f, kcal/mol:	8.23
Dipole, Da:	6.08
IP(EA), eV:	-9.32(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-7-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CC1CCC(CC1)CN2C3=C(C=NC=C3)N=C2C(C)Cl

DOS

IR

Vibrations