Geometry & MOs

Info

ID:	238884
PubChem CID:	93165667
Reduced:	ON4C18H28 (1)
Stoich.:	AB4C18D28 (1)
Weight, g/mol:	316.226312
ΔH_f, kcal/mol:	-19.5
Dipole, Da:	4.66
IP(EA), eV:	-9.0(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-piperazin-1-yl-2-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H](N1[C@@H](C2=CN=CC=C2)C(=O)N3CCNCC3)C

DOS

IR

Vibrations