Geometry & MOs

Info

ID:	80645
PubChem CID:	49835721
Reduced:	SO3N4C27H36 (1)
Stoich.:	AB3C4D27E36 (1)
Weight, g/mol:	433.141786
ΔH_f, kcal/mol:	-105.75
Dipole, Da:	2.04
IP(EA), eV:	-8.04(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[5-chloro-6-(methylamino)pyridin-3-yl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1)C2=C3C(=CC(=C2)C(C)(C)C)C=C(C=N3)N4CC(C(C4)(C)C)CNS(=O)(=O)C

DOS

IR

Vibrations