Geometry & MOs

Info

ID:	376871
PubChem CID:	134222901
Reduced:	FC11H19 (1)
Stoich.:	AB11C19 (1)
Weight, g/mol:	566.230453
ΔH_f, kcal/mol:	-64.65
Dipole, Da:	1.4
IP(EA), eV:	-10.09(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-[4-[4-[2-(4-acetyloxyphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1C(CC1C(C)F)CCC=C

DOS

IR

Vibrations