Geometry & MOs

Info

ID:

411724

PubChem CID:

135084558

Reduced:

NNiO2H12C17 (2)

Stoich.:

ABC2D12E17 (2)

Weight, g/mol:

640.044291

ΔHf, kcal/mol:

144.34

Dipole, Da:

8.35

IP(EA), eV:

 -6.8(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 4

Chem-info

IUPAC name:

(6Z)-2-hydroxy-6-[[[1-[2-[[(Z)-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one;nickel(2+)

Drug info:

PubChemData

Smile

C1=CC=C2C(=C(C=CC2=C1)N/C=C/3\C(=O)C(=CC=C3)O)C4=C(C=CC5=CC=CC=C45)N/C=C/6\C(=O)C(=CC=C6)O.[Ni].[Ni]

DOS

IR

Vibrations