Geometry & MOs

Info

ID:	250772
PubChem CID:	103098970
Reduced:	BrH4C6N9 (1)
Stoich.:	AB4C6D9 (1)
Weight, g/mol:	252.99631
ΔH_f, kcal/mol:	192.19
Dipole, Da:	4.38
IP(EA), eV:	-9.49(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(N2C(=NN=N2)C=N1)N3C(=NC(=N3)N)Br

DOS

IR

Vibrations