Geometry & MOs

Info

ID:	274453
PubChem CID:	103809437
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-15.56
Dipole, Da:	5.39
IP(EA), eV:	-8.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone

Drug info:

PubChemData

Smile

CCCC(C)(C(=O)NC1=CC2=C(C=C1)N=CS2)N

DOS

IR

Vibrations