Geometry & MOs

Info

ID:	389905
PubChem CID:	134995878
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-75.18
Dipole, Da:	2.68
IP(EA), eV:	-8.98(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-1-hydroxy-3-oxo-1-phenylbutan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(=O)[C@@H]1[C@H](O1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations