Geometry & MOs

Info

ID:	51186
PubChem CID:	12013821
Reduced:	OC6H6 (2)
Stoich.:	AB6C6 (2)
Weight, g/mol:	250.09938
ΔH_f, kcal/mol:	-43.27
Dipole, Da:	5.23
IP(EA), eV:	-9.86(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-6,6-diphenyl-3-oxabicyclo[3.1.0]hexan-2-one

Drug info:

PubChemData

Smile

C[C@]1([C@@H]2[C@H]1C(=O)OC2)C3=CC=CC=C3

DOS

IR

Vibrations