Geometry & MOs

Info

ID:	268235
PubChem CID:	103598512
Reduced:	SO2N3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	353.179107
ΔH_f, kcal/mol:	16.62
Dipole, Da:	4.31
IP(EA), eV:	-8.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]but-2-en-1-one

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CNC(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=N3

DOS

IR

Vibrations