Geometry & MOs

Info

ID:

38165

PubChem CID:

8027574

Reduced:

NO2C10H16 (1)

Stoich.:

AB2C10D16 (1)

Weight, g/mol:

262.071547

ΔHf, kcal/mol:

-53.24

Dipole, Da:

3.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.086078

Charge, e:

 -1

Chem-info

IUPAC name:

4-[(3-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@H](CO)[NH3+]

DOS

IR

Vibrations