Geometry & MOs

Info

ID:	250759
PubChem CID:	103098901
Reduced:	BrFON5H7C9 (1)
Stoich.:	ABCD5E7F9 (1)
Weight, g/mol:	245.93233
ΔH_f, kcal/mol:	-8.74
Dipole, Da:	2.58
IP(EA), eV:	-9.32(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C(=O)N)N2C(=NC(=N2)N)Br

DOS

IR

Vibrations