Geometry & MOs

Info

ID:

342001

PubChem CID:

127264694

Reduced:

FeP2C52H68 (1)

Stoich.:

AB2C52D68 (1)

Weight, g/mol:

654.354426

ΔHf, kcal/mol:

13.84

Dipole, Da:

3.73

IP(EA), eV:

 -7.09(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

bis(3,5-dimethylphenyl)-[2-[1-[2-[(2,5-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]phenyl]ethyl]cyclopentyl]phosphane

Drug info:

PubChemData

Smile

[CH3-].[CH3-].CC1=CC(=C(C=C1)C)P(C2=CC=CC=C2C(C)C3CCCC3P(C4=CC(=CC(=C4)C)C)C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C.C1CCCC1.[Fe+2]

DOS

IR

Vibrations