Geometry & MOs

Info

ID:	405326
PubChem CID:	135073482
Reduced:	SeO5C20H24 (1)
Stoich.:	AB5C20D24 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-183.7
Dipole, Da:	4.1
IP(EA), eV:	-8.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroperoxypropyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene

Drug info:

PubChemData

Smile

C[C@@H]1C[C@]2([C@H]3[C@H]([C@@]1(OC(O3)(O2)C)[Se]C4=CC=CC=C4)OC(=O)C)C(=C)C

DOS

IR

Vibrations