Geometry & MOs

Info

ID:	341346
PubChem CID:	127264039
Reduced:	F3N5H6C7 (1)
Stoich.:	A3B5C6D7 (1)
Weight, g/mol:	278.96189
ΔH_f, kcal/mol:	-68.33
Dipole, Da:	9.12
IP(EA), eV:	-9.89(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=NN2C1=NN=C2C(F)(F)F)N

DOS

IR

Vibrations