Geometry & MOs

Info

ID:	193345
PubChem CID:	78378605
Reduced:	ClN3O8C30H30 (1)
Stoich.:	AB3C8D30E30 (1)
Weight, g/mol:	237.019271
ΔH_f, kcal/mol:	-172.1
Dipole, Da:	9.1
IP(EA), eV:	-9.04(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-chloro-4-oxo-6H-quinoline-2-carboxylate

Drug info:

PubChemData

Smile

C=CCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=COC4CCC(CC4C3=O)Cl)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations