Geometry & MOs

Info

ID:	382655
PubChem CID:	134973933
Reduced:	O5C18H22 (1)
Stoich.:	A5B18C22 (1)
Weight, g/mol:	318.146724
ΔH_f, kcal/mol:	-181.37
Dipole, Da:	4.58
IP(EA), eV:	-9.82(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations