Geometry & MOs

Info

ID:	250740
PubChem CID:	103098726
Reduced:	BrF2C4N4H5 (1)
Stoich.:	AB2C4D4E5 (1)
Weight, g/mol:	271.97313
ΔH_f, kcal/mol:	-55.61
Dipole, Da:	0.93
IP(EA), eV:	-9.27(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(C(F)F)N1C(=NC(=N1)N)Br

DOS

IR

Vibrations