Geometry & MOs

Info

ID:	416269
PubChem CID:	135089281
Reduced:	ON6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	335.160932
ΔH_f, kcal/mol:	53.87
Dipole, Da:	3.75
IP(EA), eV:	-9.05(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-methyl-7-(trifluoromethyl)quinoline

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CN(C)C3=NC(=CN=C3)C(=O)N4CCCC4

DOS

IR

Vibrations