Geometry & MOs

Info

ID:	341606
PubChem CID:	127264299
Reduced:	AuOPC22H23 (1)
Stoich.:	ABCD22E23 (1)
Weight, g/mol:	459.151608
ΔH_f, kcal/mol:	131.29
Dipole, Da:	8.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.836979
Charge, e:	1

Chem-info

IUPAC name:

ethynylbenzene;gold(1+);tri(propan-2-yl)phosphanium

Drug info:

PubChemData

Smile

CCC(=O)[CH2-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+]

DOS

IR

Vibrations