Geometry & MOs

Info

ID:	274355
PubChem CID:	103808769
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	303.161663
ΔH_f, kcal/mol:	-55.51
Dipole, Da:	7.42
IP(EA), eV:	-8.71(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCN[C@H](C1)C(=O)NC2=CC=CC(=C2)NC(=O)C3CC3

DOS

IR

Vibrations