Geometry & MOs

Info

ID:

341616

PubChem CID:

127264309

Reduced:

AuNF5H10C11 (1)

Stoich.:

ABC5D10E11 (1)

Weight, g/mol:

579.245508

ΔHf, kcal/mol:

-16.71

Dipole, Da:

5.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.138854

Charge, e:

 1

Chem-info

IUPAC name:

ethynylbenzene;gold(1+);tricyclohexylphosphanium

Drug info:

PubChemData

Smile

C1CC[N-]CC1.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[Au]

DOS

IR

Vibrations