Geometry & MOs

Info

ID:	297551
PubChem CID:	117621127
Reduced:	ClFN2O3H14C15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	526.144154
ΔH_f, kcal/mol:	-120.15
Dipole, Da:	2.97
IP(EA), eV:	-8.85(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-methylimidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CN=C2OC)Cl)F

DOS

IR

Vibrations