Geometry & MOs

Info

ID:	238882
PubChem CID:	93165663
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	316.226312
ΔH_f, kcal/mol:	-120.98
Dipole, Da:	3.29
IP(EA), eV:	-8.52(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-1-piperazin-1-yl-2-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)N1CCC[C@H]1C(=O)O)N2CCC3=CC=CC=C32

DOS

IR

Vibrations