Geometry & MOs

Info

ID:	386971
PubChem CID:	134983546
Reduced:	FeO3C11H14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	354.055445
ΔH_f, kcal/mol:	80.35
Dipole, Da:	0.67
IP(EA), eV:	-7.23(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;iron;(3S,4E,6E)-3-methyl-1-phenylocta-4,6-dien-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations