Geometry & MOs

Info

ID:	121845
PubChem CID:	50783694
Reduced:	FO2N4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	443.216869
ΔH_f, kcal/mol:	-45.68
Dipole, Da:	4.78
IP(EA), eV:	-9.15(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2)C3=CC(=CC=C3)F

DOS

IR

Vibrations