Geometry & MOs

Info

ID:	221100
PubChem CID:	85256809
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	276.038236
ΔH_f, kcal/mol:	21.45
Dipole, Da:	7.85
IP(EA), eV:	-9.22(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-nitro-2-oxo-3H-quinolin-3-yl)-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CCCCNC(=CC(=O)N1C=CN=C1)C2=CC=CS2

DOS

IR

Vibrations