Geometry & MOs

Info

ID:	410268
PubChem CID:	135083059
Reduced:	AuNC13H16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	650.049723
ΔH_f, kcal/mol:	149.74
Dipole, Da:	1.71
IP(EA), eV:	-8.79(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethynyl-2,3,4,5,6-pentafluorobenzene;gold(1+);triphenylphosphane

Drug info:

PubChemData

Smile

[C-]#CC1=CC=CC=C1.C1CCNCC1.[Au+]

DOS

IR

Vibrations