Geometry & MOs

Info

ID:	23918
PubChem CID:	607110
Reduced:	NO5H11C16 (1)
Stoich.:	AB5C11D16 (1)
Weight, g/mol:	297.063722
ΔH_f, kcal/mol:	-122.77
Dipole, Da:	9.81
IP(EA), eV:	-9.73(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5,6-trioxo-1H-benzo[h]quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CNC2=C(C1=O)C(=O)C(=O)C3=CC=CC=C32

DOS

IR

Vibrations