Geometry & MOs

Info

ID:	409143
PubChem CID:	135081922
Reduced:	AuN2H13C20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	399.04482
ΔH_f, kcal/mol:	235.88
Dipole, Da:	5.82
IP(EA), eV:	-8.7(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

ethynylbenzene;gold(1+)

Drug info:

PubChemData

Smile

[C-]#CC1=CC=CC=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Au+]

DOS

IR

Vibrations