Geometry & MOs

Info

ID:	289547
PubChem CID:	104359475
Reduced:	ClBr2N3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	406.92225
ΔH_f, kcal/mol:	87.9
Dipole, Da:	6.07
IP(EA), eV:	-9.79(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1N2C(=NN=C2C3=C(C(=CC=C3)Br)Cl)CBr

DOS

IR

Vibrations