Geometry & MOs

Info

ID:	28907
PubChem CID:	830495
Reduced:	SN6C13H18 (1)
Stoich.:	AB6C13D18 (1)
Weight, g/mol:	313.184193
ΔH_f, kcal/mol:	100.11
Dipole, Da:	4.04
IP(EA), eV:	-8.53(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1-(4-fluorophenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NNC(=S)N2N)C3=CC=CC=C3

DOS

IR

Vibrations