Geometry & MOs

Info

ID:	341680
PubChem CID:	127264373
Reduced:	AuPC22H23 (1)
Stoich.:	ABC22D23 (1)
Weight, g/mol:	591.151608
ΔH_f, kcal/mol:	321.15
Dipole, Da:	3.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.907308
Charge, e:	1

Chem-info

IUPAC name:

carbanide;ethynylbenzene;gold(3+);triphenylphosphanium

Drug info:

PubChemData

Smile

[CH3-].[CH3-].C#[C-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+3]

DOS

IR

Vibrations