Geometry & MOs

Info

ID:	172215
PubChem CID:	75481003
Reduced:	N2O3H10C11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	219.076967
ΔH_f, kcal/mol:	-26.91
Dipole, Da:	6.46
IP(EA), eV:	-9.44(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(4-acetyl-3-methylphenyl)-2H-oxadiazol-3-ium-5-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+]2=NOC(=C2)[O-])C(=O)C

DOS

IR

Vibrations