Geometry & MOs

Info

ID:	380257
PubChem CID:	134970642
Reduced:	ClO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	89.035102
ΔH_f, kcal/mol:	-51.57
Dipole, Da:	5.74
IP(EA), eV:	-9.87(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4,5-dihydrooxadiazol-3-ium-5-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(CCCl)C(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations