Geometry & MOs

Info

ID:	250787
PubChem CID:	103099046
Reduced:	BrN7C8H10 (1)
Stoich.:	AB7C8D10 (1)
Weight, g/mol:	297.98139
ΔH_f, kcal/mol:	91.44
Dipole, Da:	3.21
IP(EA), eV:	-8.89(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(3-amino-5-bromo-1,2,4-triazol-1-yl)pyrazine-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=N1)N2C(=NC(=N2)N)Br

DOS

IR

Vibrations