Geometry & MOs

Info

ID:	308086
PubChem CID:	125316893
Reduced:	SO2N4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	203.058243
ΔH_f, kcal/mol:	18.51
Dipole, Da:	2.43
IP(EA), eV:	-8.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-oxo-3H-quinoline-8-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C[C@H]2C1=C3C=CC=CC3=N2)C(=O)CN4CNC5=C(C4=O)SC=C5

DOS

IR

Vibrations