Geometry & MOs

Info

ID:	85151
PubChem CID:	49872093
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	390.18559
ΔH_f, kcal/mol:	-8.17
Dipole, Da:	4.45
IP(EA), eV:	-9.08(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-fluorophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one

Drug info:

PubChemData

Smile

CC(C)C1=NC2=CC=CC3=C2N1CCN(C3=O)C4CN5CCC4CC5

DOS

IR

Vibrations