Geometry & MOs

Info

ID:	353037
PubChem CID:	127284187
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-82.1
Dipole, Da:	3.11
IP(EA), eV:	-9.17(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-piperidin-1-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1C(=O)N3CCC(CC3)O

DOS

IR

Vibrations