Geometry & MOs

Info

ID:	363939
PubChem CID:	127313596
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-2.88
Dipole, Da:	5.76
IP(EA), eV:	-9.5(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,3-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2=C(C=CS2)C#N)C

DOS

IR

Vibrations