Geometry & MOs

Info

ID:

175031

PubChem CID:

75847892

Reduced:

N2O3C14H19 (1)

Stoich.:

A2B3C14D19 (1)

Weight, g/mol:

250.168128

ΔHf, kcal/mol:

-60.42

Dipole, Da:

3.33

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.787794

Charge, e:

 0

Chem-info

IUPAC name:

1-(3,5-dimethylphenoxy)-3-imidazolidin-1-ylpropan-2-ol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1COCC(C[N+]2=CNC=C2)O

DOS

IR

Vibrations