Geometry & MOs

Info

ID:	400453
PubChem CID:	135047989
Reduced:	CoO7C12H13 (1)
Stoich.:	AB7C12D13 (1)
Weight, g/mol:	427.035438
ΔH_f, kcal/mol:	-226.6
Dipole, Da:	28.79
IP(EA), eV:	-10.24(-5.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4bS,8aR)-1,4,7-trimethoxy-2-methyl-4b,8a-dihydrocarbazol-3-one;carbon monoxide;iron

Drug info:

PubChemData

Smile

COC(=O)C(C/C=C\[CH2])C(=O)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co]

DOS

IR

Vibrations