Geometry & MOs

Info

ID:	18560
PubChem CID:	542880
Reduced:	NOC3H3 (3)
Stoich.:	ABC3D3 (3)
Weight, g/mol:	207.064391
ΔH_f, kcal/mol:	-8.48
Dipole, Da:	4.07
IP(EA), eV:	-9.22(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-oxidobenzotriazol-3-ium-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1C2=CC=CC=C2[N+](=N1)[O-]

DOS

IR

Vibrations