Geometry & MOs

Info

ID:	341622
PubChem CID:	127264315
Reduced:	AuNPH26C28 (1)
Stoich.:	ABCD26E28 (1)
Weight, g/mol:	603.151608
ΔH_f, kcal/mol:	224.78
Dipole, Da:	24.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757193
Charge, e:	1

Chem-info

IUPAC name:

ethynylbenzene;gold(1+);tris(4-methylphenyl)phosphanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[PH+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.[C-]#CC1=CC=NC=C1.[Au+]

DOS

IR

Vibrations