Geometry & MOs

Info

ID:	403424
PubChem CID:	135060205
Reduced:	NF3H12C13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	347.199762
ΔH_f, kcal/mol:	-271.93
Dipole, Da:	7.62
IP(EA), eV:	-8.68(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-azabicyclo[2.2.2]octan-3-yl)-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),4,11,13,15-pentaen-2-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N2CC4=CC=CC=C4)C(CNC3C5=CC=C(C=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations