Geometry & MOs

Info

ID:	238746
PubChem CID:	93165412
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	302.210661
ΔH_f, kcal/mol:	-117.25
Dipole, Da:	6.14
IP(EA), eV:	-8.92(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC[C@H]1C(=O)O)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations