Geometry & MOs

Info

ID:	304010
PubChem CID:	124491305
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-87.27
Dipole, Da:	5.27
IP(EA), eV:	-9.49(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-phenyl-3-[(2S)-piperidin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H]([C@@H](CC(=O)O)C1=CC=CC=C1)N

DOS

IR

Vibrations