Geometry & MOs

Info

ID:	277272
PubChem CID:	103827581
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	292.145678
ΔH_f, kcal/mol:	-68.92
Dipole, Da:	2.42
IP(EA), eV:	-8.54(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methylsulfonylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)(COC)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N

DOS

IR

Vibrations