Geometry & MOs

Info

ID:	312366
PubChem CID:	126604460
Reduced:	ClN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	409.166938
ΔH_f, kcal/mol:	-59.87
Dipole, Da:	4.96
IP(EA), eV:	-8.92(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(7-chloro-3-pentylimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

Drug info:

PubChemData

Smile

COCCCCC1=C(N=C2N1C=CC(=C2)Cl)CO

DOS

IR

Vibrations