Geometry & MOs

Info

ID:	85794
PubChem CID:	49879190
Reduced:	ClO2N3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	406.24811
ΔH_f, kcal/mol:	-55.44
Dipole, Da:	0.88
IP(EA), eV:	-8.56(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-propylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(C(=O)N2)CC(=O)NCCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations