Geometry & MOs

Info

ID:	250773
PubChem CID:	103098972
Reduced:	BrN5C8H8 (1)
Stoich.:	AB5C8D8 (1)
Weight, g/mol:	269.98647
ΔH_f, kcal/mol:	75.26
Dipole, Da:	3.83
IP(EA), eV:	-8.81(-0.9)
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-methylpyrazin-2-one

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)N2C(=NC(=N2)N)Br

DOS

IR

Vibrations