Geometry & MOs

Info

ID:

16171

PubChem CID:

460734

Reduced:

N3O3H9C11 (1)

Stoich.:

A3B3C9D11 (1)

Weight, g/mol:

231.064391

ΔHf, kcal/mol:

41.02

Dipole, Da:

10.65

IP(EA), eV:

-9.77(-0.96)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6-nitro-2-phenyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole

Drug info:

PubChemData

Smile

C1C(OC2=NC(=CN21)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations