Geometry & MOs

Info

ID:

404145

PubChem CID:

135065225

Reduced:

NiN16H56C88 (1)

Stoich.:

AB16C56D88 (1)

Weight, g/mol:

715.007611

ΔHf, kcal/mol:

933.44

Dipole, Da:

7.57

IP(EA), eV:

 -7.55(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cobalt(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=CC=C(C=C1)C=NC2=CC3=C(C(=C2)N=CC4=CC=CC=C4)C5=NC6=NC(=NC7=C8C=C(C=C(C8=C([N-]7)N=C9C1=C(C(=CC(=C1)N=CC1=CC=CC=C1)N=CC1=CC=CC=C1)C(=N9)N=C3[N-]5)N=CC1=CC=CC=C1)N=CC1=CC=CC=C1)C1=C6C=C(C=C1N=CC1=CC=CC=C1)N=CC1=CC=CC=C1.[Ni+2]

DOS

IR

Vibrations