Geometry & MOs

Info

ID:	338275
PubChem CID:	127258967
Reduced:	NCl2O3C7H15 (1)
Stoich.:	AB2C3D7E15 (1)
Weight, g/mol:	431.129796
ΔH_f, kcal/mol:	-209.15
Dipole, Da:	2.47
IP(EA), eV:	-9.34(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanamine;trihydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C1CNCCO1.Cl.Cl

DOS

IR

Vibrations