Geometry & MOs

Info

ID:	363904
PubChem CID:	127313561
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	247.124215
ΔH_f, kcal/mol:	-49.34
Dipole, Da:	3.82
IP(EA), eV:	-9.25(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylpiperidin-1-yl)-2-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2=CC(=NN2C)C(C)(C)C)C

DOS

IR

Vibrations