Geometry & MOs

Info

ID:	405510
PubChem CID:	135074249
Reduced:	O4C12H13 (2)
Stoich.:	A4B12C13 (2)
Weight, g/mol:	256.131074
ΔH_f, kcal/mol:	-257.41
Dipole, Da:	3.31
IP(EA), eV:	-8.82(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-2-[(2-methylpropan-2-yl)oxy]-4-(2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC(C#CC(C1=CC(=CC(=C1)OC)OC)OC(=O)C)C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations