Geometry & MOs

Info

ID:

233101

PubChem CID:

87692412

Reduced:

OZrH3C4 (1)

Stoich.:

ABC3D4 (1)

Weight, g/mol:

525.033598

ΔHf, kcal/mol:

132.62

Dipole, Da:

7.64

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.373871

Charge, e:

0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CO[C-]=C1.[Zr]

DOS

IR

Vibrations