Geometry & MOs

Info

ID:	411820
PubChem CID:	135084665
Reduced:	CuCl4N4H24C44 (1)
Stoich.:	AB4C4D24E44 (1)
Weight, g/mol:	962.20504
ΔH_f, kcal/mol:	411.5
Dipole, Da:	4.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.199097
Charge, e:	0

Chem-info

IUPAC name:

trilithium;1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate;yttrium(3+)

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7Cl)C8=CC=CC=C8Cl)C=C4)C9=CC=CC=C9Cl)[N-]3)Cl.[Cu+2]

DOS

IR

Vibrations