Geometry & MOs

Info

ID:	125368
PubChem CID:	50921248
Reduced:	RuN3O6C12H19 (1)
Stoich.:	AB3C6D12E19 (1)
Weight, g/mol:	406.055201
ΔH_f, kcal/mol:	-47.58
Dipole, Da:	5.12
IP(EA), eV:	-7.91(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nitroxyl anion;piperidin-1-ide-2-carboxylic acid;ruthenium(3+);hydrate

Drug info:

PubChemData

Smile

C1CC[N-]C(C1)C(=O)O.C1=CC([N-]C=C1)C(=O)O.[N-]=O.[OH3+].[Ru+4]

DOS

IR

Vibrations