Geometry & MOs

Info

ID:	250768
PubChem CID:	103098946
Reduced:	Br2H5N5C7 (1)
Stoich.:	A2B5C5D7 (1)
Weight, g/mol:	332.90477
ΔH_f, kcal/mol:	86.75
Dipole, Da:	2.22
IP(EA), eV:	-9.08(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)N2C(=NC(=N2)N)Br

DOS

IR

Vibrations