Geometry & MOs

Info

ID:	341608
PubChem CID:	127264301
Reduced:	AuOPC21H21 (1)
Stoich.:	ABCD21E21 (1)
Weight, g/mol:	663.126456
ΔH_f, kcal/mol:	139.16
Dipole, Da:	6.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.929855
Charge, e:	1

Chem-info

IUPAC name:

3-ethynyl-1,10-phenanthroline;gold(1+);triphenylphosphanium

Drug info:

PubChemData

Smile

CC(=O)[CH2-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+]

DOS

IR

Vibrations