Geometry & MOs

Info

ID:	21008
PubChem CID:	586725
Reduced:	ClN2O2C20H23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	358.144806
ΔH_f, kcal/mol:	-43.41
Dipole, Da:	3.37
IP(EA), eV:	-8.77(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-methoxyquinolin-4-yl)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methanone

Drug info:

PubChemData

Smile

CCC1CN2CCC1CC2C(=O)C3=CC(=NC4=C3C=C(C=C4)OC)Cl

DOS

IR

Vibrations