Geometry & MOs

Info

ID:	400380
PubChem CID:	135047748
Reduced:	NO2Rh2P6H9C14F18 (1)
Stoich.:	AB2C2D6E9F14G18 (1)
Weight, g/mol:	894.6725
ΔH_f, kcal/mol:	-1259.66
Dipole, Da:	21.83
IP(EA), eV:	-9.75(-4.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitro-4-prop-1-ynylbenzene;rhodium;trifluorophosphane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)[N+](=O)[O-].FP(F)F.FP(F)F.FP(F)F.FP(F)F.FP(F)F.FP(F)F.[Rh].[Rh]

DOS

IR

Vibrations