Geometry & MOs

Info

ID:	208120
PubChem CID:	80497258
Reduced:	ClN3H5C6 (2)
Stoich.:	AB3C5D6 (2)
Weight, g/mol:	184.026422
ΔH_f, kcal/mol:	109.38
Dipole, Da:	2.65
IP(EA), eV:	-9.09(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-3-(2H-triazol-4-yl)-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C2=NNN=C2)C3=C(C=C(C=C3)Cl)Cl)N

DOS

IR

Vibrations