Geometry & MOs

Info

ID:	77630
PubChem CID:	49658480
Reduced:	ClN3O3H18C21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	372.087685
ΔH_f, kcal/mol:	-70.68
Dipole, Da:	5.05
IP(EA), eV:	-8.59(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(C(=CC=C2)Cl)NC1=O)NCCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations