Geometry & MOs

Info

ID:

412356

PubChem CID:

135085246

Reduced:

NNiO2H12C14 (2)

Stoich.:

ABC2D12E14 (2)

Weight, g/mol:

568.044291

ΔHf, kcal/mol:

142.41

Dipole, Da:

4.42

IP(EA), eV:

 -7.63(-3.74)

Spin(Sz, S2):

 None, None

Charge, e:

 4

Chem-info

IUPAC name:

(6Z)-2-hydroxy-6-[[2-[2-[[(Z)-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-6-methylphenyl]-3-methylanilino]methylidene]cyclohexa-2,4-dien-1-one;nickel(2+)

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N/C=C/2\C(=O)C(=CC=C2)O)C3=C(C=CC=C3N/C=C/4\C(=O)C(=CC=C4)O)C.[Ni].[Ni]

DOS

IR

Vibrations