Geometry & MOs

Info

ID:	271076
PubChem CID:	103642810
Reduced:	Cl2N3O3H11C12 (1)
Stoich.:	A2B3C3D11E12 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	-49.25
Dipole, Da:	5.18
IP(EA), eV:	-10.01(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(2-acetylphenoxy)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CN(N=N1)CCOC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations