Geometry & MOs

Info

ID:

407558

PubChem CID:

135080305

Reduced:

NO2C8H18 (1)

Stoich.:

AB2C8D18 (1)

Weight, g/mol:

182.070796

ΔHf, kcal/mol:

-103.3

Dipole, Da:

3.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756002

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-1-dimethoxyphosphorylbutan-2-ol

Drug info:

PubChemData

Smile

CC(C)CC(CC(=O)OC)[NH3+]

DOS

IR

Vibrations