Geometry & MOs

Info

ID:	31101
PubChem CID:	854513
Reduced:	FO4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	292.094688
ΔH_f, kcal/mol:	-157.65
Dipole, Da:	2.64
IP(EA), eV:	-8.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-3-propan-2-yloxycarbonyl-1-benzofuran-5-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC3=CC=CC=C3F)C

DOS

IR

Vibrations