Geometry & MOs

Info

ID:	38785
PubChem CID:	8137923
Reduced:	NO3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	409.18017
ΔH_f, kcal/mol:	-135.67
Dipole, Da:	3.93
IP(EA), eV:	-8.98(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-fluorophenyl)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)OCC2=NC(=NO2)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations