Geometry & MOs

Info

ID:	136444
PubChem CID:	52044160
Reduced:	Cl2O2N3H11C16 (1)
Stoich.:	A2B2C3D11E16 (1)
Weight, g/mol:	347.022832
ΔH_f, kcal/mol:	18.46
Dipole, Da:	5.27
IP(EA), eV:	-9.48(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)methyl 1-(2-chlorophenyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC(=O)C2=CN(N=N2)C3=CC=CC=C3Cl)Cl

DOS

IR

Vibrations