Geometry & MOs

Info

ID:	21028
PubChem CID:	586843
Reduced:	BrSN3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	318.97788
ΔH_f, kcal/mol:	107.0
Dipole, Da:	2.58
IP(EA), eV:	-8.94(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromophenyl)-1-methyl-3-thiophen-2-yl-1,2,4-triazole

Drug info:

PubChemData

Smile

CN1C(=NC(=N1)C2=CC=CS2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations