Geometry & MOs

Info

ID:	400382
PubChem CID:	135047750
Reduced:	FePO4F6C13H13 (1)
Stoich.:	ABC4D6E13F13 (1)
Weight, g/mol:	316.003409
ΔH_f, kcal/mol:	-569.84
Dipole, Da:	5.76
IP(EA), eV:	-8.59(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;iron;(E)-4-(4-methoxyphenyl)but-3-en-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations