Geometry & MOs

Info

ID:	238750
PubChem CID:	93165416
Reduced:	ON4C17H26 (1)
Stoich.:	AB4C17D26 (1)
Weight, g/mol:	302.210661
ΔH_f, kcal/mol:	-17.41
Dipole, Da:	5.58
IP(EA), eV:	-9.12(-0.22)
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-4-ylethanone

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1[C@@H](C2=CN=CC=C2)C(=O)N3CCNCC3

DOS

IR

Vibrations