Geometry & MOs

Info

ID:	188545
PubChem CID:	77731271
Reduced:	ON4C32H50 (1)
Stoich.:	AB4C32D50 (1)
Weight, g/mol:	343.174771
ΔH_f, kcal/mol:	-56.72
Dipole, Da:	2.71
IP(EA), eV:	-8.41(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[(4-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C2=NC=CC=N2)C3CCC4C3(CCC5C4CC=C6C5(CCC(C6(C)C)O)C)C

DOS

IR

Vibrations