Geometry & MOs

Info

ID:	412360
PubChem CID:	135085250
Reduced:	PRuO2N3C33H35 (1)
Stoich.:	ABC2D3E33F35 (1)
Weight, g/mol:	443.014355
ΔH_f, kcal/mol:	220.18
Dipole, Da:	29.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.115888
Charge, e:	1

Chem-info

IUPAC name:

carbanide;chlororuthenium(2+);(2-diphenylphosphaniumylphenyl)methylazanide

Drug info:

PubChemData

Smile

CC(O)O.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3CN(CC4=CC=CC=N4)CC5=CC=CC=N5.[Ru]

DOS

IR

Vibrations