Geometry & MOs

Info

ID:	250778
PubChem CID:	103098990
Reduced:	BrSN5H10C11 (1)
Stoich.:	ABC5D10E11 (1)
Weight, g/mol:	284.00212
ΔH_f, kcal/mol:	107.27
Dipole, Da:	5.11
IP(EA), eV:	-9.12(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSC1=CC=CC(=C1C#N)N2C(=NC(=N2)N)Br

DOS

IR

Vibrations