Geometry & MOs

Info

ID:	250730
PubChem CID:	103098658
Reduced:	BrN6C9H13 (1)
Stoich.:	AB6C9D13 (1)
Weight, g/mol:	249.98878
ΔH_f, kcal/mol:	73.76
Dipole, Da:	2.25
IP(EA), eV:	-9.09(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)CN2C(=NC(=N2)N)Br

DOS

IR

Vibrations