Geometry & MOs

Info

ID:	250796
PubChem CID:	103099125
Reduced:	BrFH5N5C9 (1)
Stoich.:	ABC5D5E9 (1)
Weight, g/mol:	245.93233
ΔH_f, kcal/mol:	62.05
Dipole, Da:	5.19
IP(EA), eV:	-9.26(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C#N)N2C(=NC(=N2)N)Br

DOS

IR

Vibrations