Geometry & MOs

Info

ID:	374490
PubChem CID:	131330438
Reduced:	NOSF2H5C11 (1)
Stoich.:	ABCD2E5F11 (1)
Weight, g/mol:	254.96434
ΔH_f, kcal/mol:	-55.92
Dipole, Da:	2.29
IP(EA), eV:	-9.56(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(F)F)SC(=C2C=O)C#N

DOS

IR

Vibrations