Geometry & MOs

Info

ID:	387000
PubChem CID:	134983650
Reduced:	FeO3N4H8C10 (1)
Stoich.:	AB3C4D8E10 (1)
Weight, g/mol:	574.120761
ΔH_f, kcal/mol:	125.04
Dipole, Da:	8.21
IP(EA), eV:	-7.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;iron;(5S,7R)-5-(methoxymethyl)-7-methylcyclohepta-1,3-diene;triphenyl phosphite

Drug info:

PubChemData

Smile

C[C@@H](/C=C\C=C\C#N)N=[N+]=[N-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations