Geometry & MOs

Info

ID:	409717
PubChem CID:	135082502
Reduced:	AuNC8H8 (1)
Stoich.:	ABC8D8 (1)
Weight, g/mol:	1022.17802
ΔH_f, kcal/mol:	130.25
Dipole, Da:	8.96
IP(EA), eV:	-8.48(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;gold(1+)

Drug info:

PubChemData

Smile

C[N+]#[C-].C1=CC=[C-]C=C1.[Au+]

DOS

IR

Vibrations