Geometry & MOs

Info

ID:	400342
PubChem CID:	135047629
Reduced:	RuO3C7H8 (1)
Stoich.:	AB3C7D8 (1)
Weight, g/mol:	472.089378
ΔH_f, kcal/mol:	196.46
Dipole, Da:	0.41
IP(EA), eV:	-6.9(-3.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

buta-1,3-diene;ruthenium;triphenylphosphane

Drug info:

PubChemData

Smile

C=C.C=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru]

DOS

IR

Vibrations