Geometry & MOs

Info

ID:	289544
PubChem CID:	104359470
Reduced:	BrCl2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	318.92787
ΔH_f, kcal/mol:	41.03
Dipole, Da:	7.03
IP(EA), eV:	-9.84(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=NN=C1C2=C(C(=CC=C2)Br)Cl)CCl

DOS

IR

Vibrations