Geometry & MOs

Info

ID:	360638
PubChem CID:	127301283
Reduced:	ON2C10H18 (2)
Stoich.:	AB2C10D18 (2)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-126.68
Dipole, Da:	4.15
IP(EA), eV:	-8.78(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)CC(=O)NC3CCCCC3

DOS

IR

Vibrations