Geometry & MOs

Info

ID:	289539
PubChem CID:	104359464
Reduced:	BrClN3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	284.96684
ΔH_f, kcal/mol:	93.21
Dipole, Da:	5.85
IP(EA), eV:	-9.85(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-chlorophenyl)-4-ethyl-1,2,4-triazole

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3=C(C(=CC=C3)Br)Cl

DOS

IR

Vibrations