Geometry & MOs

Info

ID:	387773
PubChem CID:	134986859
Reduced:	O3C10H18 (1)
Stoich.:	A3B10C18 (1)
Weight, g/mol:	242.98949
ΔH_f, kcal/mol:	-153.31
Dipole, Da:	2.72
IP(EA), eV:	-9.61(1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3,3-dimethoxy-7-azabicyclo[4.2.0]octa-1,4,6-triene

Drug info:

PubChemData

Smile

CO[C@H]1CCO[C@]2(C1)CCCCO2

DOS

IR

Vibrations