Geometry & MOs

Info

ID:	289550
PubChem CID:	104359478
Reduced:	ClBr2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	406.92225
ΔH_f, kcal/mol:	57.79
Dipole, Da:	7.03
IP(EA), eV:	-9.74(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1C2=C(C(=CC=C2)Br)Cl)CBr

DOS

IR

Vibrations