Geometry & MOs

Info

ID:	232313
PubChem CID:	87575970
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	229.987754
ΔH_f, kcal/mol:	-35.15
Dipole, Da:	3.68
IP(EA), eV:	-8.63(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azanium;iron(5+);hexacyanide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1/C(=N/O)/C)N(C(=O)CC2(C)C)CC3=CC=CC=C3

DOS

IR

Vibrations