Geometry & MOs

Info

ID:	341621
PubChem CID:	127264314
Reduced:	AuPF5C12H16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	604.146857
ΔH_f, kcal/mol:	-94.8
Dipole, Da:	16.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.969746
Charge, e:	1

Chem-info

IUPAC name:

4-ethynylpyridine;gold(1+);tris(4-methylphenyl)phosphanium

Drug info:

PubChemData

Smile

CC[PH+](CC)CC.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[Au+]

DOS

IR

Vibrations