Geometry & MOs

Info

ID:	363933
PubChem CID:	127313590
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	201.118735
ΔH_f, kcal/mol:	-19.71
Dipole, Da:	5.34
IP(EA), eV:	-9.6(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylpiperidin-1-yl)-2-methylsulfanylethanone

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)N2CCCC(C2)(C)C

DOS

IR

Vibrations