Geometry & MOs

Info

ID:	388641
PubChem CID:	134989718
Reduced:	ClSSeN2C8H9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	102.030351
ΔH_f, kcal/mol:	77.33
Dipole, Da:	11.44
IP(EA), eV:	-8.33(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-methyl-2H-oxatriazol-3-ium-5-one

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)N=S([Se]2)Cl

DOS

IR

Vibrations