Geometry & MOs

Info

ID:	420648
PubChem CID:	135114581
Reduced:	SO2N5C19H19 (1)
Stoich.:	AB2C5D19E19 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	43.04
Dipole, Da:	2.96
IP(EA), eV:	-9.15(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-hydroxy-1-(4-phenylbutyl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=CC=CC=C3C4=NNN=N4)C5=C1SC=C5

DOS

IR

Vibrations