Geometry & MOs

Info

ID:	200849
PubChem CID:	79452718
Reduced:	FCl2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	338.97687
ΔH_f, kcal/mol:	-38.49
Dipole, Da:	3.32
IP(EA), eV:	-9.26(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-bromo-2-(bromomethyl)propyl]-1-(2-methylpropyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(CC2=CC=CC=C2F)(CCl)CCl

DOS

IR

Vibrations