Geometry & MOs

Info

ID:

411723

PubChem CID:

135084557

Reduced:

NOP2H33C44 (1)

Stoich.:

ABC2D33E44 (1)

Weight, g/mol:

640.044291

ΔHf, kcal/mol:

94.94

Dipole, Da:

3.34

IP(EA), eV:

 -8.2(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)NP(=O)(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations