Geometry & MOs

Info

ID:	250767
PubChem CID:	103098942
Reduced:	BrON6C9H11 (1)
Stoich.:	ABC6D9E11 (1)
Weight, g/mol:	318.88912
ΔH_f, kcal/mol:	43.23
Dipole, Da:	3.37
IP(EA), eV:	-9.05(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=NC(=CN=C1)N2C(=NC(=N2)N)Br

DOS

IR

Vibrations