Geometry & MOs

Info

ID:	49024
PubChem CID:	11528626
Reduced:	ON2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	219.088201
ΔH_f, kcal/mol:	46.67
Dipole, Da:	10.31
IP(EA), eV:	-9.22(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(3-ethanehydrazonoylphenyl)-2H-oxadiazol-3-ium-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations