Geometry & MOs

Info

ID:

380243

PubChem CID:

134970622

Reduced:

NRh2O4C5H8 (1)

Stoich.:

AB2C4D5E8 (1)

Weight, g/mol:

208.14633

ΔHf, kcal/mol:

-147.32

Dipole, Da:

4.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.761204

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-phenylmethoxyhexan-3-ol

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1COC([N-]1)O.[Rh].[Rh]

DOS

IR

Vibrations