Geometry & MOs

Info

ID:	410878
PubChem CID:	135083679
Reduced:	OSiC12H16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	282.06193
ΔH_f, kcal/mol:	4.65
Dipole, Da:	2.44
IP(EA), eV:	-9.13(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-3-bromobut-2-enyl]-3,4-dimethylbicyclo[2.2.2]oct-5-en-2-one

Drug info:

PubChemData

Smile

C[Si](C)(C1=CC=CC=C1)C2(C=C2)CO

DOS

IR

Vibrations