Geometry & MOs

Info

ID:	360624
PubChem CID:	127301269
Reduced:	FO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-125.3
Dipole, Da:	7.58
IP(EA), eV:	-8.79(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations