Geometry & MOs

Info

ID:	411358
PubChem CID:	135084181
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	228.099774
ΔH_f, kcal/mol:	-95.38
Dipole, Da:	1.84
IP(EA), eV:	-9.09(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-2-ethoxy-4-(2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(O1)C(C)(C)O

DOS

IR

Vibrations