Geometry & MOs

Info

ID:	400467
PubChem CID:	135048015
Reduced:	FePF6O6C14H15 (1)
Stoich.:	ABC6D6E14F15 (1)
Weight, g/mol:	327.985651
ΔH_f, kcal/mol:	-693.99
Dipole, Da:	14.31
IP(EA), eV:	-8.72(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;cyclohexa-1,3-dien-1-ylsulfanylbenzene;iron

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(C=C[CH]C1)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].F[P-](F)(F)(F)(F)F.[Fe]

DOS

IR

Vibrations