Geometry & MOs

Info

ID:	394747
PubChem CID:	135023675
Reduced:	OC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	336.193674
ΔH_f, kcal/mol:	-16.21
Dipole, Da:	2.21
IP(EA), eV:	-9.38(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl] (2S,3R)-3-hydroxy-2-methylhexanoate

Drug info:

PubChemData

Smile

CC(=O)O[C@H](CCCC=C)C#CC1=CC=CC=C1

DOS

IR

Vibrations