Geometry & MOs

Info

ID:	367900
PubChem CID:	127326073
Reduced:	FO2N5C20H26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-47.71
Dipole, Da:	4.82
IP(EA), eV:	-8.94(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-(3-methyl-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)F

DOS

IR

Vibrations