Geometry & MOs

Info

ID:	48224
PubChem CID:	10538113
Reduced:	O4C13H22 (1)
Stoich.:	A4B13C22 (1)
Weight, g/mol:	242.151809
ΔH_f, kcal/mol:	-203.28
Dipole, Da:	1.57
IP(EA), eV:	-9.8(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3S,4S)-4-methyl-5-oxo-2-pentyloxolane-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)CCC1CCCCCC12OCCO2

DOS

IR

Vibrations