Geometry & MOs

Info

ID:	326356
PubChem CID:	126687380
Reduced:	FNCl2C23H26 (1)
Stoich.:	ABC2D23E26 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-45.88
Dipole, Da:	2.9
IP(EA), eV:	-8.94(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR)-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)(C)C3=CC=C(C=C3)F)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations