Geometry & MOs

Info

ID:	403554
PubChem CID:	135060773
Reduced:	OC23H34 (1)
Stoich.:	AB23C34 (1)
Weight, g/mol:	328.131074
ΔH_f, kcal/mol:	-74.13
Dipole, Da:	3.24
IP(EA), eV:	-8.79(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,3aR,7aS)-3-acetyl-7a-methyl-5-oxo-3a,4-dihydro-2H-1-benzofuran-3-yl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CCCCCC[C@@]12CC(=C3C=CCC[C@]3(C1)CC2=O)C4CCCC4

DOS

IR

Vibrations