Geometry & MOs

Info

ID:	52147
PubChem CID:	12014938
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	212.17763
ΔH_f, kcal/mol:	-94.97
Dipole, Da:	5.25
IP(EA), eV:	-9.72(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations