Geometry & MOs

Info

ID:

409121

PubChem CID:

135081897

Reduced:

FeOC15H21 (1)

Stoich.:

ABC15D21 (1)

Weight, g/mol:

204.99519

ΔHf, kcal/mol:

152.43

Dipole, Da:

0.77

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.279950

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=C([C](C(=C1C)C)C)C.C=CC=C.[C-]#[O+].[Fe]

DOS

IR

Vibrations