Geometry & MOs

Info

ID:	77612
PubChem CID:	49658399
Reduced:	ClN2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-97.75
Dipole, Da:	5.72
IP(EA), eV:	-8.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3-methoxyphenyl)methylamino]-8-methyl-2-oxo-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC(=C2NC1=O)C)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations