Geometry & MOs

Info

ID:	240998
PubChem CID:	93619181
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	289.171165
ΔH_f, kcal/mol:	-119.42
Dipole, Da:	3.19
IP(EA), eV:	-9.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C(=O)C2=CN(C(=O)C=C2)C

DOS

IR

Vibrations