Geometry & MOs

Info

ID:	400085
PubChem CID:	135045194
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	205.024932
ΔH_f, kcal/mol:	-69.52
Dipole, Da:	2.83
IP(EA), eV:	-8.54(0.78)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-oxido-3-phenyloxadiazol-3-ium-4-carboxylate

Drug info:

PubChemData

Smile

CC1CC2C3CCCN4C3(C1)C(CCC4)CC2=O

DOS

IR

Vibrations