Geometry & MOs

Info

ID:	31139
PubChem CID:	854732
Reduced:	OH4C5 (3)
Stoich.:	AB4C5 (3)
Weight, g/mol:	342.126737
ΔH_f, kcal/mol:	-74.66
Dipole, Da:	7.18
IP(EA), eV:	-9.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-[(4-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=COC2=CC3=C(C=C12)C4=C(CCC4)C(=O)O3

DOS

IR

Vibrations