Geometry & MOs

Info

ID:	121852
PubChem CID:	50784044
Reduced:	FO4N5C26H28 (1)
Stoich.:	AB4C5D26E28 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	-150.1
Dipole, Da:	4.56
IP(EA), eV:	-8.45(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-methylbenzoyl)amino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC(=O)CN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)F)C(=C2)C(=O)O

DOS

IR

Vibrations