Geometry & MOs

Info

ID:

409030

PubChem CID:

135081804

Reduced:

AuBrH5C8 (1)

Stoich.:

ABC5D8 (1)

Weight, g/mol:

424.91017

ΔHf, kcal/mol:

182.24

Dipole, Da:

2.32

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.924951

Charge, e:

 -1

Chem-info

IUPAC name:

ethynylbenzene;gold(1+);iodide

Drug info:

PubChemData

Smile

[C-]#CC1=CC=CC=C1.[Br-].[Au+]

DOS

IR

Vibrations