Geometry & MOs

Info

ID:

404147

PubChem CID:

135065227

Reduced:

F4N4H5C16 (2)

Stoich.:

A4B4C5D16 (2)

Weight, g/mol:

714.009759

ΔHf, kcal/mol:

-24.0

Dipole, Da:

2.56

IP(EA), eV:

 -8.18(-2.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

nickel(2+);5,7,14,16,23,25,32,34-octafluoro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C3=NC4=C5C(=CC(=CC5=C(N4)N=C6C7=C(C=C(C=C7F)F)C(=N6)N=C8C9=C(C=C(C=C9F)F)C(=N8)N=C2N3)F)F)F)F

DOS

IR

Vibrations