Geometry & MOs

Info

ID:	386081
PubChem CID:	134980720
Reduced:	O4C9H11 (2)
Stoich.:	A4B9C11 (2)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-296.12
Dipole, Da:	1.59
IP(EA), eV:	-9.65(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C[C@H]2[C@H]3C=C([C@@H]([C@]2(O1)C)C(C3=O)(OC)OC)C(=O)OC

DOS

IR

Vibrations