Geometry & MOs

Info

ID:	52146
PubChem CID:	12014937
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-96.72
Dipole, Da:	5.2
IP(EA), eV:	-9.71(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-hexyl-5-phenyloxolan-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations