Geometry & MOs

Info

ID:	400418
PubChem CID:	135047858
Reduced:	FeO5C21H22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	271.169805
ΔH_f, kcal/mol:	112.33
Dipole, Da:	3.41
IP(EA), eV:	-6.46(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCO[C-]=CC(=O)[C](/C=C/C1=CC=CC=C1)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations