Geometry & MOs

Info

ID:	67833
PubChem CID:	46507261
Reduced:	FSN4O4H23C24 (1)
Stoich.:	ABC4D4E23F24 (1)
Weight, g/mol:	368.09277
ΔH_f, kcal/mol:	-89.59
Dipole, Da:	3.35
IP(EA), eV:	-9.22(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-6-chloro-4-ethoxyquinoline-2-carboxamide

Drug info:

PubChemData

Smile

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=NO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations