Geometry & MOs

Info

ID:	224321
PubChem CID:	85341547
Reduced:	FeO5C14H16 (1)
Stoich.:	AB5C14D16 (1)
Weight, g/mol:	320.0007
ΔH_f, kcal/mol:	61.0
Dipole, Da:	4.78
IP(EA), eV:	-6.97(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dichlorophenyl)methylidene]-5-methoxy-1-benzofuran-3-one

Drug info:

PubChemData

Smile

CCOC1CC1C(=O)C=CC=CC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations