Geometry & MOs

Info

ID:	22499
PubChem CID:	597380
Reduced:	N3O3H5C6 (1)
Stoich.:	A3B3C5D6 (1)
Weight, g/mol:	167.033091
ΔH_f, kcal/mol:	16.92
Dipole, Da:	2.22
IP(EA), eV:	-10.39(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxyimino-7H-2,1,3-benzoxadiazol-6-one

Drug info:

PubChemData

Smile

C1C(=O)CC(=NO)C2=NON=C21

DOS

IR

Vibrations