Geometry & MOs

Info

ID:	17395
PubChem CID:	495729
Reduced:	O4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	-132.9
Dipole, Da:	4.54
IP(EA), eV:	-9.59(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1)OC(C2O)C(=C)CO

DOS

IR

Vibrations