Geometry & MOs

Info

ID:

409214

PubChem CID:

135081993

Reduced:

FePN2O2C21H22 (1)

Stoich.:

ABC2D2E21F22 (1)

Weight, g/mol:

195.982949

ΔHf, kcal/mol:

233.74

Dipole, Da:

4.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 3.620329

Charge, e:

 0

Chem-info

IUPAC name:

cyclooctatetraene;zirconium dihydride

Drug info:

PubChemData

Smile

C=C[CH2].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.N=O.N=O.[Fe]

DOS

IR

Vibrations