Geometry & MOs

Info

ID:	238939
PubChem CID:	93165751
Reduced:	ON2C20H34 (1)
Stoich.:	AB2C20D34 (1)
Weight, g/mol:	319.205991
ΔH_f, kcal/mol:	-62.4
Dipole, Da:	3.6
IP(EA), eV:	-8.56(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=CC=C1[C@@H](CN)N2CCC[C@@H](C2)C

DOS

IR

Vibrations