Geometry & MOs

Info

ID:	60834
PubChem CID:	26702533
Reduced:	N3O7C22H25 (1)
Stoich.:	A3B7C22D25 (1)
Weight, g/mol:	473.158685
ΔH_f, kcal/mol:	-164.22
Dipole, Da:	6.56
IP(EA), eV:	-8.41(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=CC(=C(C(=C3)OC)OC)OC)OC

DOS

IR

Vibrations