Geometry & MOs

Info

ID:	411562
PubChem CID:	135084394
Reduced:	N2O2F3H5C9 (1)
Stoich.:	A2B2C3D5E9 (1)
Weight, g/mol:	231.038137
ΔH_f, kcal/mol:	-136.87
Dipole, Da:	6.83
IP(EA), eV:	-10.14(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-phenyl-4-(trifluoromethyl)-2H-oxadiazol-3-ium-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[N+]2=NOC(=C2C(F)(F)F)[O-]

DOS

IR

Vibrations