Geometry & MOs

Info

ID:	340642
PubChem CID:	127262653
Reduced:	AuPC22H25 (1)
Stoich.:	ABC22D25 (1)
Weight, g/mol:	537.104658
ΔH_f, kcal/mol:	168.45
Dipole, Da:	23.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754106
Charge, e:	1

Chem-info

IUPAC name:

benzene;gold(1+);triphenylphosphanium

Drug info:

PubChemData

Smile

[CH3-].CC1=CC=CC=C1[PH+](C2=CC=CC=C2C)C3=CC=CC=C3C.[Au+]

DOS

IR

Vibrations