Geometry & MOs

Info

ID:	388751
PubChem CID:	134990092
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	258.02554
ΔH_f, kcal/mol:	27.44
Dipole, Da:	3.23
IP(EA), eV:	-9.26(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,8R)-6-bromo-8-butyl-2-oxabicyclo[2.2.2]oct-5-en-3-one

Drug info:

PubChemData

Smile

CCCN1C(=C(N=N1)C(=O)C2=CC=C(C=C2)C)N

DOS

IR

Vibrations