Geometry & MOs

Info

ID:	402219
PubChem CID:	135055009
Reduced:	O6C15H20 (1)
Stoich.:	A6B15C20 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-227.96
Dipole, Da:	4.34
IP(EA), eV:	-8.93(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-2,4-dimethyl-5-oxo-8-phenyloctanoic acid

Drug info:

PubChemData

Smile

CC1(C(OC(=O)C(O1)C2=CC=C(C=C2)OC)(C)OC)OC

DOS

IR

Vibrations