Geometry & MOs

Info

ID:	399745
PubChem CID:	135042198
Reduced:	FH15C16 (1)
Stoich.:	AB15C16 (1)
Weight, g/mol:	228.151415
ΔH_f, kcal/mol:	6.18
Dipole, Da:	1.3
IP(EA), eV:	-9.31(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R,8R)-8-ethyl-8-phenylbicyclo[4.2.0]octan-7-one

Drug info:

PubChemData

Smile

CC=CC(C1=CC=CC=C1)C2=CC=CC=C2F

DOS

IR

Vibrations