Geometry & MOs

Info

ID:	122945
PubChem CID:	50828066
Reduced:	ClO2N4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	451.167811
ΔH_f, kcal/mol:	26.25
Dipole, Da:	4.93
IP(EA), eV:	-8.4(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2=NOC(=N2)C(=O)NCCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations