Geometry & MOs

Info

ID:	127528
PubChem CID:	51005056
Reduced:	OC11H14 (1)
Stoich.:	AB11C14 (1)
Weight, g/mol:	366.16198
ΔH_f, kcal/mol:	-13.61
Dipole, Da:	3.37
IP(EA), eV:	-9.96(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4S,5R)-1,3,3-triphenyl-9-oxatricyclo[3.3.1.02,4]nonan-6-one

Drug info:

PubChemData

Smile

CC(=O)[C@H]1C[C@H]2[C@H]3[C@@H]1[C@@H]4[C@@H]2[C@H]4C3

DOS

IR

Vibrations