Geometry & MOs

Info

ID:

408427

PubChem CID:

135081193

Reduced:

NiN8H36C40 (1)

Stoich.:

AB8C36D40 (1)

Weight, g/mol:

1765.312232

ΔHf, kcal/mol:

309.7

Dipole, Da:

3.98

IP(EA), eV:

 -8.32(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methanone;5,8,14,17,23,26,32,35-octakis-decyl-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;ruthenium(3+)

Drug info:

PubChemData

Smile

CC1(C2=NC3=C4C=C5C=CC=CC5=CC4=C([N-]3)N=C6C(C(C(=N6)N=C7C8=CC9=CC=CC=C9C=C8C(=NC(=N2)C1(C)C)[N-]7)(C)C)(C)C)C.[Ni+2]

DOS

IR

Vibrations