Geometry & MOs

Info

ID:	412460
PubChem CID:	135085355
Reduced:	IrPSF3O4H15C20 (1)
Stoich.:	ABCD3E4F15G20 (1)
Weight, g/mol:	380.05541
ΔH_f, kcal/mol:	-156.77
Dipole, Da:	22.87
IP(EA), eV:	-9.3(-5.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

acetonitrile;(1Z,5Z)-cycloocta-1,5-diene;rhodium(2+);tetrafluoroborate

Drug info:

PubChemData

Smile

[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].[Ir]

DOS

IR

Vibrations