Geometry & MOs

Info

ID:	190831
PubChem CID:	78065850
Reduced:	O3C11H20 (1)
Stoich.:	A3B11C20 (1)
Weight, g/mol:	246.040247
ΔH_f, kcal/mol:	-120.52
Dipole, Da:	3.55
IP(EA), eV:	-9.69(1.06)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-methoxycarbonyl-4-oxo-3H-quinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC=CCOCC(CO)OCC=CC

DOS

IR

Vibrations