Geometry & MOs

Info

ID:	341618
PubChem CID:	127264311
Reduced:	AuPCl5C12H16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	562.099907
ΔH_f, kcal/mol:	84.68
Dipole, Da:	21.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.860312
Charge, e:	1

Chem-info

IUPAC name:

4-ethynylpyridine;gold(1+);triphenylphosphanium

Drug info:

PubChemData

Smile

CC[PH+](CC)CC.[C-]1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl.[Au+]

DOS

IR

Vibrations