Geometry & MOs

Info

ID:	250763
PubChem CID:	103098917
Reduced:	BrIOH4C6N6 (1)
Stoich.:	ABCD4E6F6 (1)
Weight, g/mol:	272.94169
ΔH_f, kcal/mol:	80.16
Dipole, Da:	5.96
IP(EA), eV:	-9.64(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=NC(=O)C(=C(N1)N2C(=NC(=N2)N)Br)I

DOS

IR

Vibrations