Geometry & MOs

Info

ID:	341623
PubChem CID:	127264316
Reduced:	AuPH27C29 (1)
Stoich.:	ABC27D29 (1)
Weight, g/mol:	621.142186
ΔH_f, kcal/mol:	217.43
Dipole, Da:	20.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768266
Charge, e:	1

Chem-info

IUPAC name:

1-ethynyl-4-fluorobenzene;gold(1+);tris(4-methylphenyl)phosphanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[PH+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.[C-]#CC1=CC=CC=C1.[Au+]

DOS

IR

Vibrations