Geometry & MOs

Info

ID:	418816
PubChem CID:	135106867
Reduced:	ClN3O3C15H16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	-50.26
Dipole, Da:	2.83
IP(EA), eV:	-9.99(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-[(4-methoxy-2-methylphenyl)methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=C(C=NC=C3)Cl

DOS

IR

Vibrations