Geometry & MOs

Info

ID:	216262
PubChem CID:	85085962
Reduced:	SO2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	247.084458
ΔH_f, kcal/mol:	-128.72
Dipole, Da:	2.59
IP(EA), eV:	-8.47(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methoxy-4-oxo-3H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OS(=O)C(C)C)C(C)C

DOS

IR

Vibrations