Geometry & MOs

Info

ID:

341626

PubChem CID:

127264319

Reduced:

AuClPC12H14 (1)

Stoich.:

ABCD12E14 (1)

Weight, g/mol:

551.120308

ΔHf, kcal/mol:

56.23

Dipole, Da:

15.3

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.809031

Charge, e:

 1

Chem-info

IUPAC name:

gold(1+);methylbenzene;triphenylphosphanium

Drug info:

PubChemData

Smile

CC1=C[PH+](C=C1C)C2=CC=CC=C2.Cl[Au]

DOS

IR

Vibrations