Geometry & MOs

Info

ID:	49066
PubChem CID:	11528672
Reduced:	BrC11H11 (1)
Stoich.:	AB11C11 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	28.69
Dipole, Da:	2.55
IP(EA), eV:	-8.99(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,5S)-7-oxo-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate

Drug info:

PubChemData

Smile

C1CC=C(C1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations