Geometry & MOs

Info

ID:	289536
PubChem CID:	104359461
Reduced:	BrClON3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	332.96684
ΔH_f, kcal/mol:	5.7
Dipole, Da:	5.14
IP(EA), eV:	-9.84(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations