Geometry & MOs

Info

ID:	289548
PubChem CID:	104359476
Reduced:	ClBr2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	378.89095
ΔH_f, kcal/mol:	49.82
Dipole, Da:	7.9
IP(EA), eV:	-9.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-chlorophenyl)-5-(bromomethyl)-4-ethyl-1,2,4-triazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations