Geometry & MOs

Info

ID:	11769
PubChem CID:	120697
Reduced:	O2H6C7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	244.073559
ΔH_f, kcal/mol:	-127.98
Dipole, Da:	9.11
IP(EA), eV:	-8.87(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-hydroxy-5-methoxy-3-methyl-3H-benzo[f][2]benzofuran-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(C=C3C=CC=C(C3=C2O)OC)C(=O)O1

DOS

IR

Vibrations