Geometry & MOs

Info

ID:	250709
PubChem CID:	103098497
Reduced:	BrN6H9C10 (1)
Stoich.:	AB6C9D10 (1)
Weight, g/mol:	267.96296
ΔH_f, kcal/mol:	95.63
Dipole, Da:	5.91
IP(EA), eV:	-8.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(2-methylsulfonylethyl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1=CC2=NC(=CN2C=C1)CN3C(=NC(=N3)N)Br

DOS

IR

Vibrations