Geometry & MOs

Info

ID:	31106
PubChem CID:	854522
Reduced:	O6C17H20 (1)
Stoich.:	A6B17C20 (1)
Weight, g/mol:	278.079038
ΔH_f, kcal/mol:	-231.88
Dipole, Da:	3.11
IP(EA), eV:	-9.0(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)C=CC(=C2)O[C@H](C)C(=O)OC)C(=O)OC(C)C

DOS

IR

Vibrations