Geometry & MOs

Info

ID:	410410
PubChem CID:	135083205
Reduced:	AuClPN3O6H24C31 (1)
Stoich.:	ABCD3E6F24G31 (1)
Weight, g/mol:	414.09407
ΔH_f, kcal/mol:	135.46
Dipole, Da:	5.5
IP(EA), eV:	-9.25(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethylbut-1-yne;dimethylphosphanylmethyl(dimethyl)phosphane;gold(1+)

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CP(C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)Cl.C1=C(C=C([C-]=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[Au+]

DOS

IR

Vibrations