Geometry & MOs

Info

ID:	250766
PubChem CID:	103098934
Reduced:	BrON5C10H10 (1)
Stoich.:	ABC5D10E10 (1)
Weight, g/mol:	298.01777
ΔH_f, kcal/mol:	26.62
Dipole, Da:	3.77
IP(EA), eV:	-9.2(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(6-propoxypyrazin-2-yl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations