Geometry & MOs

Info

ID:	238888
PubChem CID:	93165674
Reduced:	ON4C18H28 (1)
Stoich.:	AB4C18D28 (1)
Weight, g/mol:	316.226312
ΔH_f, kcal/mol:	-18.13
Dipole, Da:	4.19
IP(EA), eV:	-8.93(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-piperazin-1-yl-2-pyridin-4-ylethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations