Geometry & MOs

Info

ID:	137933
PubChem CID:	52286595
Reduced:	ON5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	267.1293
ΔH_f, kcal/mol:	83.05
Dipole, Da:	3.39
IP(EA), eV:	-9.21(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-benzylsulfonyl-3-ethylpiperidine

Drug info:

PubChemData

Smile

CN1C=CN=C1[C@H](C2=CC=CC=C2)NC(=O)C3=CN(N=C3)CC4=CC=CC=C4

DOS

IR

Vibrations