Geometry & MOs

Info

ID:	382653
PubChem CID:	134973931
Reduced:	O2C9H12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	334.141638
ΔH_f, kcal/mol:	-173.91
Dipole, Da:	1.79
IP(EA), eV:	-9.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,9bR)-3,3,3a-trihydroxy-4-methyl-9b-(3-methylbutyl)-4H-benzo[g][1]benzofuran-2,5-dione

Drug info:

PubChemData

Smile

C[C@H]1C(=O)C2=CC=CC=C2[C@@]([C@]1(C(=O)C)O)(CCC(C)C)O

DOS

IR

Vibrations