Geometry & MOs

Info

ID:

380740

PubChem CID:

134971269

Reduced:

AlSiO5H6 (1)

Stoich.:

ABC5D6 (1)

Weight, g/mol:

248.17763

ΔHf, kcal/mol:

-404.51

Dipole, Da:

5.21

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.756732

Charge, e:

0

Chem-info

IUPAC name:

(2S,4S)-4-tert-butyl-1-phenylcyclohexane-1,2-diol

Drug info:

PubChemData

Smile

O.O.O[Si](O)O[Al]

DOS

IR

Vibrations