Geometry & MOs

Info

ID:	289540
PubChem CID:	104359465
Reduced:	BrClN3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	270.95119
ΔH_f, kcal/mol:	66.23
Dipole, Da:	6.33
IP(EA), eV:	-9.81(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations