Geometry & MOs

Info

ID:	127461
PubChem CID:	51002869
Reduced:	NO2C23H25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	359.153286
ΔH_f, kcal/mol:	-40.17
Dipole, Da:	3.77
IP(EA), eV:	-9.15(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-fluoro-2-methylphenyl)piperidin-4-one;(2S)-2-hydroxy-2-phenylacetic acid

Drug info:

PubChemData

Smile

C1C[C@@H]2C[C@](C1)(CCN2C(=O)/C=C/C3=CC=CC=C3)C4=CC(=CC=C4)O

DOS

IR

Vibrations