Geometry & MOs

Info

ID:	12170
PubChem CID:	131838
Reduced:	O3C11H13 (2)
Stoich.:	A3B11C13 (2)
Weight, g/mol:	386.172939
ΔH_f, kcal/mol:	-212.65
Dipole, Da:	3.92
IP(EA), eV:	-9.25(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-(5-hydroxy-4-methylpent-3-enyl)-7-methoxy-2,3,8-trimethyl-2H-benzo[g][1]benzofuran-6,9-dione

Drug info:

PubChemData

Smile

CC1C(C2=C(C=C3C(=C2O1)C(=O)C(=C(C3=O)OC)C)O)(C)CCC=C(C)CO

DOS

IR

Vibrations