Geometry & MOs

Info

ID:	80561
PubChem CID:	49835130
Reduced:	SN3O4C26H27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	449.125467
ΔH_f, kcal/mol:	-97.58
Dipole, Da:	6.77
IP(EA), eV:	-8.51(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-1-methylpyrazol-4-yl)-8-(3,4-dimethoxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C2C(=C1)C=C(C(=N2)OC)C3=CC=C(C=C3)NS(=O)(=O)C)C4=CC=CNC4=O

DOS

IR

Vibrations