Geometry & MOs

Info

ID:	419024
PubChem CID:	135107360
Reduced:	NCl2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-146.26
Dipole, Da:	3.78
IP(EA), eV:	-9.51(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(4-butylphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCCC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations