Geometry & MOs

Info

ID:

226085

PubChem CID:

87322644

Reduced:

O8C173H218 (1)

Stoich.:

A8B173C218 (1)

Weight, g/mol:

318.079565

ΔHf, kcal/mol:

-303.16

Dipole, Da:

6.38

IP(EA), eV:

 -8.26(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopenta-1,3-diene;ethane;ruthenium(3+);1,3,4,5-tetramethyl-2H-pyrrol-2-ide

Drug info:

PubChemData

Smile

CCCCCCC1(C2=C(C=CC(=C2)C3=CC(=CC(=C3)C4=CC(=CC(=C4)C5=CC=C(C=C5)OCC(CC)CCCC)C6=CC=C(C=C6)OCC(CC)CCCC)C7=CC(=CC(=C7)C8=CC=C(C=C8)OCC(CC)CCCC)C9=CC=C(C=C9)OCC(CC)CCCC)C2=C1C=C(C=C2)C1=CC(=CC(=C1)C1=CC(=CC(=C1)C1=CC=C(C=C1)OCC(CC)CCCC)C1=CC=C(C=C1)OCC(CC)CCCC)C1=CC(=CC(=C1)C1=CC=C(C=C1)OCC(CC)CCCC)C1=CC=C(C=C1)OCC(CC)CCCC)CCCCCC

DOS

IR

Vibrations