Geometry & MOs

Info

ID:	251716
PubChem CID:	103106244
Reduced:	ClSO2N3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	-22.12
Dipole, Da:	3.51
IP(EA), eV:	-9.73(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=CC=C(S2)Cl)C(=O)OCC

DOS

IR

Vibrations