Geometry & MOs

Info

ID:	77623
PubChem CID:	49658441
Reduced:	ClN3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	376.064841
ΔH_f, kcal/mol:	-151.94
Dipole, Da:	4.65
IP(EA), eV:	-9.25(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-chloro-2-oxo-4-(2-thiophen-2-ylethylamino)-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(C=C(C=C2)Cl)NC1=O)NCCN3CCOCC3

DOS

IR

Vibrations