Geometry & MOs

Info

ID:	7209
PubChem CID:	71539
Reduced:	FeOC19H26 (1)
Stoich.:	ABC19D26 (1)
Weight, g/mol:	326.133301
ΔH_f, kcal/mol:	133.45
Dipole, Da:	5.02
IP(EA), eV:	-7.43(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylidene-3,5,5-trimethylhexan-1-olate;iron(2+)

Drug info:

PubChemData

Smile

CC(CC(=C1C=CC=C1)[O-])CC(C)(C)C.[CH-]1C=CC=C1.[Fe+2]

DOS

IR

Vibrations