Geometry & MOs

Info

ID:	289541
PubChem CID:	104359467
Reduced:	BrClN3H7C9 (1)
Stoich.:	ABC3D7E9 (1)
Weight, g/mol:	380.94352
ΔH_f, kcal/mol:	73.26
Dipole, Da:	6.06
IP(EA), eV:	-9.85(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-chlorophenyl)-5-(chloromethyl)-4-phenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CN1C=NN=C1C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations