Geometry & MOs

Info

ID:	408607
PubChem CID:	135081374
Reduced:	AuPH22C28 (1)
Stoich.:	ABC22D28 (1)
Weight, g/mol:	709.180897
ΔH_f, kcal/mol:	198.93
Dipole, Da:	2.05
IP(EA), eV:	-8.58(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dimethylphenyl)imino-1-phenylpropan-1-one;gold(1+);triphenylphosphane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C2C=[C-]C=CC2=C1.[Au+]

DOS

IR

Vibrations