Geometry & MOs

Info

ID:

341607

PubChem CID:

127264300

Reduced:

AuPC17H27 (1)

Stoich.:

ABC17D27 (1)

Weight, g/mol:

517.099572

ΔHf, kcal/mol:

105.2

Dipole, Da:

13.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.772255

Charge, e:

 1

Chem-info

IUPAC name:

gold(1+);propan-2-one;triphenylphosphanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations