Geometry & MOs

Info

ID:	250780
PubChem CID:	103098995
Reduced:	Br2H5N5C9 (1)
Stoich.:	A2B5C5D9 (1)
Weight, g/mol:	284.00212
ΔH_f, kcal/mol:	112.44
Dipole, Da:	5.04
IP(EA), eV:	-9.23(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-amino-5-bromo-1,2,4-triazol-1-yl)-1-ethylpyrazin-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)C#N)N2C(=NC(=N2)N)Br

DOS

IR

Vibrations