Geometry & MOs

Info

ID:	31281
PubChem CID:	855523
Reduced:	ON3C7H9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	203.058243
ΔH_f, kcal/mol:	83.97
Dipole, Da:	8.35
IP(EA), eV:	-9.31(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-oxo-1H-quinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CCN2N=C(N=N2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations