Geometry & MOs

Info

ID:	326320
PubChem CID:	126687327
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-71.93
Dipole, Da:	5.04
IP(EA), eV:	-8.98(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3,6-dimethyl-2-oxo-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-yl] acetate

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)(CC3=CC=CC=C3)O)C4=CNC(=O)C=C4

DOS

IR

Vibrations