Geometry & MOs

Info

ID:	364337
PubChem CID:	127315477
Reduced:	NOC13H25 (1)
Stoich.:	ABC13D25 (1)
Weight, g/mol:	261.139865
ΔH_f, kcal/mol:	-96.8
Dipole, Da:	3.94
IP(EA), eV:	-9.17(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C)C(=O)N1CCC(CC1)(C)C

DOS

IR

Vibrations