Geometry & MOs

Info

ID:	288403
PubChem CID:	104316308
Reduced:	BrN5H6C10 (1)
Stoich.:	AB5C6D10 (1)
Weight, g/mol:	239.96467
ΔH_f, kcal/mol:	115.71
Dipole, Da:	1.67
IP(EA), eV:	-9.88(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromopyridin-2-yl)-1,2-dihydro-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)C2=NC=C(C(=N2)N)C#N

DOS

IR

Vibrations