Geometry & MOs

Info

ID:	402649
PubChem CID:	135056696
Reduced:	OSeN4C8H10 (1)
Stoich.:	ABC4D8E10 (1)
Weight, g/mol:	216.046967
ΔH_f, kcal/mol:	25.49
Dipole, Da:	5.27
IP(EA), eV:	-8.49(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-1,2,4-triazol-3-yl)-1,3-benzothiazole

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=C([Se]2)C#N)N

DOS

IR

Vibrations