Geometry & MOs

Info

ID:	150915
PubChem CID:	53790612
Reduced:	O4C27H36 (1)
Stoich.:	A4B27C36 (1)
Weight, g/mol:	222.052823
ΔH_f, kcal/mol:	-144.72
Dipole, Da:	3.3
IP(EA), eV:	-8.54(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydroxypropyl)-2-benzofuran-1,3-dione

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC=C

DOS

IR

Vibrations