Geometry & MOs

Info

ID:	385838
PubChem CID:	134980123
Reduced:	O4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	268.149471
ΔH_f, kcal/mol:	-135.65
Dipole, Da:	3.84
IP(EA), eV:	-9.82(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aR,7R,7aR)-5-ethyl-3-methyl-7-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC2C3CC(C1C2=O)C(=O)C3

DOS

IR

Vibrations