Geometry & MOs

Info

ID:	31100
PubChem CID:	854504
Reduced:	Cl2O3H12C17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	328.111087
ΔH_f, kcal/mol:	-83.58
Dipole, Da:	3.14
IP(EA), eV:	-9.34(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations