Geometry & MOs

Info

ID:	11686
PubChem CID:	119199
Reduced:	O4H12C15 (1)
Stoich.:	A4B12C15 (1)
Weight, g/mol:	256.073559
ΔH_f, kcal/mol:	-122.46
Dipole, Da:	6.84
IP(EA), eV:	-9.16(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one

Drug info:

PubChemData

Smile

C1C(OC(=O)C2=C1C=CC=C2O)C3=CC=C(C=C3)O

DOS

IR

Vibrations