Geometry & MOs

Info

ID:	391536
PubChem CID:	135006356
Reduced:	O2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	260.104859
ΔH_f, kcal/mol:	-139.21
Dipole, Da:	3.39
IP(EA), eV:	-9.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-benzyl-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C[C@H]([C@H](C(=O)O1)CC2=CC=CC=C2)C

DOS

IR

Vibrations