Geometry & MOs

Info

ID:	378061
PubChem CID:	134224130
Reduced:	ClF2O2N3C19H24 (1)
Stoich.:	AB2C2D3E19F24 (1)
Weight, g/mol:	520.17656
ΔH_f, kcal/mol:	-160.11
Dipole, Da:	6.65
IP(EA), eV:	-8.76(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(4-bromo-3-methylphenyl)-2-methylphenyl]phenyl]-4-phenylbicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CCCCC(C)OC1=CC=CC(=C1C)NC(=O)C2=C(N(N=C2C(F)F)C)Cl

DOS

IR

Vibrations