Geometry & MOs

Info

ID:	51184
PubChem CID:	12013819
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	140.08373
ΔH_f, kcal/mol:	-46.77
Dipole, Da:	5.44
IP(EA), eV:	-9.58(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]([C@@H]2C(=O)O1)CCC3=CC=CC=C3

DOS

IR

Vibrations