Geometry & MOs
Info
ID: |
125114 |
PubChem CID: |
50910417 |
Reduced: |
OPdN2H11C12 (1) |
Stoich.: |
ABC2D11E12 (1) |
Weight, g/mol: |
846.03322 |
ΔHf, kcal/mol: |
91.29 |
Dipole, Da: |
3.34 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.032603 |
Charge, e: |
1 |
Chem-info
IUPAC name:
gadolinium(3+);2,11,20,29,37,39-hexaza-38,40-diazonianonacyclo[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-6,15,24,33-tetracarboxylate