Geometry & MOs

Info

ID:	348007
PubChem CID:	127273069
Reduced:	SN3O3C19H33 (1)
Stoich.:	AB3C3D19E33 (1)
Weight, g/mol:	349.247775
ΔH_f, kcal/mol:	-149.06
Dipole, Da:	8.0
IP(EA), eV:	-8.65(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCCN2C(=O)CN3CCN(CC3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations