Geometry & MOs

Info

ID:	357617
PubChem CID:	127294290
Reduced:	O3N4C19H34 (1)
Stoich.:	A3B4C19D34 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-140.3
Dipole, Da:	5.59
IP(EA), eV:	-8.73(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)C3CC(=O)N(C3)CCOC

DOS

IR

Vibrations