Geometry & MOs

Info

ID:	386566
PubChem CID:	134982174
Reduced:	FeNPO7H28C31 (1)
Stoich.:	ABCD7E28F31 (1)
Weight, g/mol:	493.089402
ΔH_f, kcal/mol:	-204.85
Dipole, Da:	5.52
IP(EA), eV:	-8.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC(=O)C(C#N)[C@@H]1CCC=CC=C1.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.[Fe]

DOS

IR

Vibrations