Geometry & MOs

Info

ID:	38744
PubChem CID:	8137855
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-36.7
Dipole, Da:	3.79
IP(EA), eV:	-8.98(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CCCCCNC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations