Geometry & MOs

Info

ID:	143790
PubChem CID:	53263022
Reduced:	BrN2O2C10H15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	369.05105
ΔH_f, kcal/mol:	-62.36
Dipole, Da:	0.47
IP(EA), eV:	-9.44(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-bromo-4-propan-2-ylphenoxy)propyl]-4-methyl-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1Br)C(=O)OC)C

DOS

IR

Vibrations