Geometry & MOs

Info

ID:	121851
PubChem CID:	50784000
Reduced:	ClN3O4H18C21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	493.212533
ΔH_f, kcal/mol:	-100.17
Dipole, Da:	2.54
IP(EA), eV:	-8.51(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-fluorobenzoyl)amino]-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

C1COCCN1C2=NC3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)C(=C2)C(=O)O

DOS

IR

Vibrations