Geometry & MOs

Info

ID:

412009

PubChem CID:

135084872

Reduced:

IrN2O2H53C67 (1)

Stoich.:

AB2C2D53E67 (1)

Weight, g/mol:

645.253329

ΔHf, kcal/mol:

432.66

Dipole, Da:

25.67

IP(EA), eV:

 -8.12(-4.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(2,2-diphenylacetyl)-hydroxyamino]cyclohexyl]-N-hydroxy-2,2-diphenylacetamide;propan-2-ol;vanadium

Drug info:

PubChemData

Smile

CC1=CC=[C-]C=C1.C1C[C@@H]([C@H](CC1)N/C=C/2\C(=O)C(=C3C(=C2)C=CC=C3)C4=C(C=CC5=CC=CC=C45)C6=CC=CC=C6)N/C=C/7\C(=O)C(=C8C(=C7)C=CC=C8)C9=C(C=CC1=CC=CC=C91)C1=CC=CC=C1.[Ir]

DOS

IR

Vibrations