Geometry & MOs

Info

ID:	80214
PubChem CID:	49833606
Reduced:	ClO4N5C26H28 (1)
Stoich.:	AB4C5D26E28 (1)
Weight, g/mol:	438.160437
ΔH_f, kcal/mol:	-92.82
Dipole, Da:	3.99
IP(EA), eV:	-8.71(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C3=NC=C(C=C3)N4C=CC(=CC4=O)OCC5=NC=C(C=C5)Cl

DOS

IR

Vibrations