Geometry & MOs

Info

ID:	421961
PubChem CID:	135116916
Reduced:	NCl2O5H11C14 (1)
Stoich.:	AB2C5D11E14 (1)
Weight, g/mol:	374.220557
ΔH_f, kcal/mol:	-169.49
Dipole, Da:	8.68
IP(EA), eV:	-10.11(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-[2-[cyclopentyl(methyl)amino]acetyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)C3=C(C(=CC=C3)Cl)Cl)C(=O)O)C(=O)O

DOS

IR

Vibrations