Geometry & MOs

Info

ID:	80146
PubChem CID:	49833242
Reduced:	ClO2N5C22H22 (1)
Stoich.:	AB2C5D22E22 (1)
Weight, g/mol:	410.185509
ΔH_f, kcal/mol:	1.78
Dipole, Da:	4.09
IP(EA), eV:	-8.5(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-8-[6-methyl-5-(methylamino)pyridin-3-yl]-1-(2-methylpyridin-3-yl)imidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

C1CN[C@@H]2[C@H]1CN(C2)C3=NC=C(C=C3)N4C=CC(=CC4=O)OCC5=NC=C(C=C5)Cl

DOS

IR

Vibrations