Geometry & MOs

Info

ID:	363923
PubChem CID:	127313580
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	215.134385
ΔH_f, kcal/mol:	3.66
Dipole, Da:	7.1
IP(EA), eV:	-9.29(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C2N1C=C(C=C2)C(=O)N3CCCC(C3)(C)C

DOS

IR

Vibrations