Geometry & MOs

Info

ID:

340640

PubChem CID:

127262651

Reduced:

AuPH19C20 (1)

Stoich.:

ABC19D20 (1)

Weight, g/mol:

485.073358

ΔHf, kcal/mol:

218.48

Dipole, Da:

14.53

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.800192

Charge, e:

 1

Chem-info

IUPAC name:

ethyne;gold(1+);triphenylphosphanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations