Geometry & MOs

Info

ID:	83722
PubChem CID:	49860643
Reduced:	ClNO2C22H34 (1)
Stoich.:	ABC2D22E34 (1)
Weight, g/mol:	538.238055
ΔH_f, kcal/mol:	-143.8
Dipole, Da:	4.55
IP(EA), eV:	-8.62(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-[1-(2-propylpentyl)piperidin-4-yl]sulfonylpropoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one;hydrochloride

Drug info:

PubChemData

Smile

C1CCCN(CC1)CCOC(=O)C(C2CCCCC2)C3=CC=CC=C3.Cl

DOS

IR

Vibrations