Geometry & MOs

Info

ID:	136575
PubChem CID:	52066858
Reduced:	N4O5C25H30 (1)
Stoich.:	A4B5C25D30 (1)
Weight, g/mol:	466.22162
ΔH_f, kcal/mol:	-99.25
Dipole, Da:	1.63
IP(EA), eV:	-8.46(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-4-ethoxybenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NOC(=N2)CN3CCC(CC3)NC(=O)CC4=CC(=CC=C4)OC)OC

DOS

IR

Vibrations