Geometry & MOs

Info

ID:	398372
PubChem CID:	135033008
Reduced:	OC7H9 (4)
Stoich.:	AB7C9 (4)
Weight, g/mol:	152.120115
ΔH_f, kcal/mol:	-161.29
Dipole, Da:	1.24
IP(EA), eV:	-8.78(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,7R)-11-oxatricyclo[5.3.1.02,6]undecane

Drug info:

PubChemData

Smile

CC(C)[C@H]1CC(=O)C23[C@@]1(CC2[C@@]4(CC[C@H]5C(=C4C3)COC(O5)C6=CC=C(C=C6)OC)C)C

DOS

IR

Vibrations