Geometry & MOs

Info

ID:	56781
PubChem CID:	22389671
Reduced:	ON2H20C22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	402.055799
ΔH_f, kcal/mol:	56.61
Dipole, Da:	4.56
IP(EA), eV:	-8.92(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

zinc;1-[(5,8-dihydroxy-8aH-quinolin-1-yl)methyl]-8aH-quinoline-5,8-diol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations