Geometry & MOs

Info

ID:	347714
PubChem CID:	127272750
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	201.118735
ΔH_f, kcal/mol:	-81.34
Dipole, Da:	3.35
IP(EA), eV:	-9.18(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,4-dimethylpiperidin-1-yl)-2-methylsulfanylethanone

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)N2CCC(CC2)(C)C

DOS

IR

Vibrations