Geometry & MOs

Info

ID:	27803
PubChem CID:	823680
Reduced:	ClN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	169.048741
ΔH_f, kcal/mol:	-37.43
Dipole, Da:	2.5
IP(EA), eV:	-9.3(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-oxido-6,7-dihydro-5H-2,1,3-benzoxadiazol-1-ium-4-ylidene)hydroxylamine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)NC2=C(N=CC=C2)Cl

DOS

IR

Vibrations