Geometry & MOs

Info

ID:	386368
PubChem CID:	134981529
Reduced:	LaO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-64.82
Dipole, Da:	0.92
IP(EA), eV:	-7.64(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4S,6aS)-4-butyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one

Drug info:

PubChemData

Smile

COCCOC.[CH2][CH][CH2].[CH2][CH][CH2].[CH2][CH][CH2].[La]

DOS

IR

Vibrations