Geometry & MOs

Info

ID:	438885
PubChem CID:	135228645
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	424.04479
ΔH_f, kcal/mol:	-141.95
Dipole, Da:	2.81
IP(EA), eV:	-8.72(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-4-iodocyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone

Drug info:

PubChemData

Smile

CC/C(=C\C1=CC(=C(C=C1)O)OC)/C(=O)OC

DOS

IR

Vibrations