Geometry & MOs

Info

ID:

341615

PubChem CID:

127264308

Reduced:

AuPC11H15 (1)

Stoich.:

ABC11D15 (1)

Weight, g/mol:

448.03991

ΔHf, kcal/mol:

135.27

Dipole, Da:

13.08

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.772700

Charge, e:

-2

Chem-info

IUPAC name:

gold;1,2,3,4,5-pentafluorobenzene-6-ide;piperidin-1-ide

Drug info:

PubChemData

Smile

C[PH+](C)C.[C-]#CC1=CC=CC=C1.[Au+]

DOS

IR

Vibrations