Geometry & MOs

Info

ID:

38158

PubChem CID:

8027536

Reduced:

NO4H10C12 (1)

Stoich.:

AB4C10D12 (1)

Weight, g/mol:

246.076633

ΔHf, kcal/mol:

-87.35

Dipole, Da:

4.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.777203

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(=O)[O-])COC2=CC=CC=C2

DOS

IR

Vibrations