Geometry & MOs

Info

ID:	287970
PubChem CID:	104303056
Reduced:	NCl2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	327.01379
ΔH_f, kcal/mol:	13.2
Dipole, Da:	2.63
IP(EA), eV:	-9.51(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-5-(4-chloro-3-methylphenyl)-4-propan-2-yl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C(C)C2=CC=NC=C2)Cl)Cl

DOS

IR

Vibrations