Geometry & MOs

Info

ID:	138165
PubChem CID:	52322174
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	274.02485
ΔH_f, kcal/mol:	-106.65
Dipole, Da:	8.17
IP(EA), eV:	-9.2(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methylpyrazol-4-ylidene)-3-(trifluoromethyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(C=C(C(=O)N2)C(=O)NCCC3=CC=CC=C3)C(=O)C1

DOS

IR

Vibrations