Geometry & MOs

Info

ID:	80619
PubChem CID:	49835563
Reduced:	FSN3O4C26H26 (1)
Stoich.:	ABC3D4E26F26 (1)
Weight, g/mol:	440.196074
ΔH_f, kcal/mol:	-135.37
Dipole, Da:	2.99
IP(EA), eV:	-8.59(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(5-cyclobutyloxypyridin-3-yl)-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C2=C(C(=C1)C3=CC=CNC3=O)N=CC(=C2)C4=CC(=C(C=C4)NS(=O)(=O)C)F)OC

DOS

IR

Vibrations