Geometry & MOs

Info

ID:	417024
PubChem CID:	135091105
Reduced:	ClO2N4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	353.199094
ΔH_f, kcal/mol:	-57.06
Dipole, Da:	4.99
IP(EA), eV:	-9.34(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-[(3,5-dimethylphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCC2=C(NN=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations