Geometry & MOs

Info

ID:	80272
PubChem CID:	49833796
Reduced:	ClO3N4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	458.186652
ΔH_f, kcal/mol:	-41.78
Dipole, Da:	7.15
IP(EA), eV:	-8.55(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[5-(ethylamino)-6-(hydroxymethyl)pyridin-3-yl]-1-(6-fluoro-2-methylpyridin-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

C1C2CN(CC2CC1=O)C3=NC=C(C=C3)N4C=CC(=CC4=O)OCC5=NC=C(C=C5)Cl

DOS

IR

Vibrations