Geometry & MOs

Info

ID:	126896
PubChem CID:	50983337
Reduced:	SN3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	343.158372
ΔH_f, kcal/mol:	92.17
Dipole, Da:	3.6
IP(EA), eV:	-9.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-3-phenoxypropan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NNC(=N2)CSC3=CC=CC=C3

DOS

IR

Vibrations