Geometry & MOs

Info

ID:

411790

PubChem CID:

135084635

Reduced:

P2Rh2O4F6H45C46 (1)

Stoich.:

A2B2C4D6E45F46 (1)

Weight, g/mol:

230.001378

ΔHf, kcal/mol:

-450.25

Dipole, Da:

43.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.895913

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trifluoro-1-(2,2,2-trifluoro-1-hydroxyethyl)peroxyethanol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[PH+](C2=CC=CC(=C2)C)C3=C(C=CC(=C3)C)[P+](C4=CC=CC(=C4)C)(C5=CC=CC(=C5)C)C6=[C-]C=CC(=C6)C.C(C(F)(F)F)(O)OOC(C(F)(F)F)O.[Rh].[Rh]

DOS

IR

Vibrations