Geometry & MOs

Info

ID:	341347
PubChem CID:	127264040
Reduced:	BrF3N3H5C8 (1)
Stoich.:	AB3C3D5E8 (1)
Weight, g/mol:	332.93363
ΔH_f, kcal/mol:	-84.66
Dipole, Da:	7.36
IP(EA), eV:	-9.81(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C2N1C=C(C=C2C(F)(F)F)Br

DOS

IR

Vibrations