Geometry & MOs

Info

ID:	238751
PubChem CID:	93165417
Reduced:	ON4C17H26 (1)
Stoich.:	AB4C17D26 (1)
Weight, g/mol:	302.210661
ΔH_f, kcal/mol:	-16.24
Dipole, Da:	2.52
IP(EA), eV:	-9.14(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3S)-3-methylpiperidin-1-yl]-1-piperazin-1-yl-2-pyridin-4-ylethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations