Geometry & MOs

Info

ID:

38163

PubChem CID:

8027566

Reduced:

NO2C13H22 (1)

Stoich.:

AB2C13D22 (1)

Weight, g/mol:

223.157229

ΔHf, kcal/mol:

-68.09

Dipole, Da:

2.91

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.155844

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-amino-2-(4-pentoxyphenyl)ethanol

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)[C@H](CO)[NH3+]

DOS

IR

Vibrations