Geometry & MOs

Info

ID:	250761
PubChem CID:	103098904
Reduced:	BrN7C11H12 (1)
Stoich.:	AB7C11D12 (1)
Weight, g/mol:	313.91971
ΔH_f, kcal/mol:	114.66
Dipole, Da:	3.64
IP(EA), eV:	-9.11(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1C#N)N2C(=NC(=N2)N)Br)CC

DOS

IR

Vibrations