Geometry & MOs

Info

ID:

392742

PubChem CID:

135017831

Reduced:

SiN2O9C36H41 (1)

Stoich.:

AB2C9D36E41 (1)

Weight, g/mol:

691.019638

ΔHf, kcal/mol:

-167.5

Dipole, Da:

8.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.752363

Charge, e:

 0

Chem-info

IUPAC name:

1,1,1,5,5,5-hexafluoropentane-2,4-diol;(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;manganese

Drug info:

PubChemData

Smile

CC[C@]12C=C(C3=C4C(=C(C5=C(C=CC(=C5C4=O)OCOC)OCOC)O)C(=C3[C@H]1O[C@H](O2)C6=C(C=C(C=C6C)C)C)[N+]#N)O[Si](C)(C)C

DOS

IR

Vibrations