Geometry & MOs

Info

ID:	304011
PubChem CID:	124491317
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-77.41
Dipole, Da:	2.87
IP(EA), eV:	-9.04(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN[C@@H](C1)[C@H](CC(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations