Geometry & MOs

Info

ID:	78878
PubChem CID:	49742625
Reduced:	ClN3O4H20C22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	413.1223
ΔH_f, kcal/mol:	-123.67
Dipole, Da:	7.34
IP(EA), eV:	-9.05(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethoxy-N-[4-(methoxymethyl)-2-oxo-1H-quinolin-7-yl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

COCC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations