Geometry & MOs

Info

ID:	341610
PubChem CID:	127264303
Reduced:	AuNPO2H24C34 (1)
Stoich.:	ABCD2E24F34 (1)
Weight, g/mol:	1030.16784
ΔH_f, kcal/mol:	360.84
Dipole, Da:	13.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.569793
Charge, e:	2

Chem-info

IUPAC name:

benzene-1,2-diol;gold;triphenylphosphanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations