Geometry & MOs

Info

ID:	192020
PubChem CID:	78214591
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	219.053158
ΔH_f, kcal/mol:	-149.46
Dipole, Da:	4.05
IP(EA), eV:	-8.91(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-2-oxo-4aH-quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1CC(=O)NC(N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations