Geometry & MOs

Info

ID:	408630
PubChem CID:	135081398
Reduced:	N2O4H10C11 (1)
Stoich.:	A2B4C10D11 (1)
Weight, g/mol:	235.071882
ΔH_f, kcal/mol:	-67.84
Dipole, Da:	6.61
IP(EA), eV:	-9.32(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)acetate

Drug info:

PubChemData

Smile

COC(=O)CC1=C(ON=[N+]1C2=CC=CC=C2)[O-]

DOS

IR

Vibrations