Geometry & MOs

Info

ID:	48013
PubChem CID:	10536478
Reduced:	NC15H17 (1)
Stoich.:	AB15C17 (1)
Weight, g/mol:	211.193614
ΔH_f, kcal/mol:	33.77
Dipole, Da:	4.08
IP(EA), eV:	-9.24(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6R)-3,6-bis(2-methylpropyl)piperidin-2-one

Drug info:

PubChemData

Smile

C1CC[C@@]2([C@H](C1)CC3=CC=CC=C32)CC#N

DOS

IR

Vibrations