Geometry & MOs

Info

ID:	238890
PubChem CID:	93165677
Reduced:	ON4C18H28 (1)
Stoich.:	AB4C18D28 (1)
Weight, g/mol:	316.226312
ΔH_f, kcal/mol:	-22.95
Dipole, Da:	2.59
IP(EA), eV:	-9.14(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-piperazin-1-yl-2-pyridin-4-ylethanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)[C@@H](C2=CC=NC=C2)C(=O)N3CCNCC3)C

DOS

IR

Vibrations