Geometry & MOs

Info

ID:	85930
PubChem CID:	49880323
Reduced:	Cl2N2O3H11C16 (1)
Stoich.:	A2B2C3D11E16 (1)
Weight, g/mol:	315.030323
ΔH_f, kcal/mol:	-62.02
Dipole, Da:	3.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.165042
Charge, e:	-1

Chem-info

IUPAC name:

6-chloro-4-(3-hydroxypropylamino)quinoline-3-carboxylic acid;chloride

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)NC2=C3C=C(C=CC3=NC=C2C(=O)O)Cl.[Cl-]

DOS

IR

Vibrations