Geometry & MOs

Info

ID:	389906
PubChem CID:	134995881
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-116.09
Dipole, Da:	3.45
IP(EA), eV:	-9.7(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-ethyl-3-hydroxy-4,4-dimethyl-1-phenylpentan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations