Geometry & MOs

Info

ID:	411282
PubChem CID:	135084095
Reduced:	NBr2O3H5C6 (1)
Stoich.:	AB2C3D5E6 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-47.92
Dipole, Da:	0.37
IP(EA), eV:	-10.83(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=NOC(=C1)C(Br)Br

DOS

IR

Vibrations