Geometry & MOs

Info

ID:	388024
PubChem CID:	134987881
Reduced:	O3C11H18 (1)
Stoich.:	A3B11C18 (1)
Weight, g/mol:	198.104465
ΔH_f, kcal/mol:	-161.0
Dipole, Da:	4.07
IP(EA), eV:	-9.7(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-1-phenylbicyclo[2.2.2]oct-5-en-2-one

Drug info:

PubChemData

Smile

CCC(=O)C1(CCCCC1)OC(=O)C

DOS

IR

Vibrations