Geometry & MOs

Info

ID:	136445
PubChem CID:	52044161
Reduced:	Cl2O2N3H11C16 (1)
Stoich.:	A2B2C3D11E16 (1)
Weight, g/mol:	401.077848
ΔH_f, kcal/mol:	17.24
Dipole, Da:	5.92
IP(EA), eV:	-9.48(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxy-5-methoxycarbonylphenyl)methyl 1-(4-chlorophenyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2C=C(N=N2)C(=O)OCC3=CC=C(C=C3)Cl)Cl

DOS

IR

Vibrations