Geometry & MOs

Info

ID:

124828

PubChem CID:

50897622

Reduced:

FeC14H17 (1)

Stoich.:

AB14C17 (1)

Weight, g/mol:

278.123933

ΔHf, kcal/mol:

21.29

Dipole, Da:

6.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.782554

Charge, e:

 -1

Chem-info

IUPAC name:

cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene;vanadium

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C)C.[CH-]1C=CC=C1.[Fe]

DOS

IR

Vibrations