Geometry & MOs

Info

ID:	341617
PubChem CID:	127264310
Reduced:	AuPC26H39 (1)
Stoich.:	ABC26D39 (1)
Weight, g/mol:	564.906846
ΔH_f, kcal/mol:	139.49
Dipole, Da:	5.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.775041
Charge, e:	1

Chem-info

IUPAC name:

gold(1+);1,2,3,4,5-pentachlorobenzene-6-ide;triethylphosphanium

Drug info:

PubChemData

Smile

[C-]#CC1=CC=CC=C1.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.[Au+]

DOS

IR

Vibrations