Geometry & MOs

Info

ID:	190832
PubChem CID:	78065851
Reduced:	NO5H8C12 (1)
Stoich.:	AB5C8D12 (1)
Weight, g/mol:	247.048072
ΔH_f, kcal/mol:	-115.65
Dipole, Da:	1.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.814989
Charge, e:	0

Chem-info

IUPAC name:

3-methoxycarbonyl-4-oxo-3H-quinoline-2-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1C(=O)C2=CC=CC=C2N=C1C(=O)[O-]

DOS

IR

Vibrations