Geometry & MOs

Info

ID:	238753
PubChem CID:	93165420
Reduced:	ON4C17H26 (1)
Stoich.:	AB4C17D26 (1)
Weight, g/mol:	302.210661
ΔH_f, kcal/mol:	-18.09
Dipole, Da:	4.95
IP(EA), eV:	-9.15(-0.13)
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-2-ylethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations