Geometry & MOs

Info

ID:	22997
PubChem CID:	600745
Reduced:	FeC18H26 (1)
Stoich.:	AB18C26 (1)
Weight, g/mol:	298.138386
ΔH_f, kcal/mol:	125.35
Dipole, Da:	3.49
IP(EA), eV:	-7.11(1.33)
Spin(S_z, S²):	None, None
Charge, e:	-10

Chem-info

IUPAC name:

iron;1,3,5-trimethylcyclohexane;1,3,5-trimethylcyclohexane

Drug info:

PubChemData

Smile

CC1C[C-]([CH-][C-]([CH-]1)C)C.C[C-]1[CH-][C-]([CH-][C-]([CH-]1)C)C.[Fe]

DOS

IR

Vibrations