Geometry & MOs

Info

ID:

408604

PubChem CID:

135081371

Reduced:

PC9H12 (1)

Stoich.:

AB9C12 (1)

Weight, g/mol:

416.096833

ΔHf, kcal/mol:

60.47

Dipole, Da:

3.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754736

Charge, e:

 0

Chem-info

IUPAC name:

ethynylbenzene;gold(1+);triethylphosphane

Drug info:

PubChemData

Smile

CP(=C)([CH2-])C1=CC=CC=C1

DOS

IR

Vibrations