Geometry & MOs

Info

ID:	163596
PubChem CID:	58086666
Reduced:	BrON2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	347.00918
ΔH_f, kcal/mol:	36.29
Dipole, Da:	2.85
IP(EA), eV:	-9.04(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-(2-propylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine

Drug info:

PubChemData

Smile

COC(C1=CC=C(C=C1)Br)C2=CNC3=C2C=CC=N3

DOS

IR

Vibrations