Geometry & MOs

Info

ID:	367901
PubChem CID:	127326074
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	2.09
Dipole, Da:	3.15
IP(EA), eV:	-8.56(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-phenylpiperidin-2-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C3CCCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations