Geometry & MOs

Info

ID:	323330
PubChem CID:	126674186
Reduced:	SF3N6C23H25 (1)
Stoich.:	AB3C6D23E25 (1)
Weight, g/mol:	358.96812
ΔH_f, kcal/mol:	-37.24
Dipole, Da:	7.03
IP(EA), eV:	-8.43(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine

Drug info:

PubChemData

Smile

CC1=NSC(=C1)N2CC3CCC(C2)C3NC4=NN5CCCC(C5=N4)C6=CC(=C(C(=C6)F)F)F

DOS

IR

Vibrations