Geometry & MOs

Info

ID:	338276
PubChem CID:	127258968
Reduced:	OCl3N3C20H28 (1)
Stoich.:	AB3C3D20E28 (1)
Weight, g/mol:	431.129796
ΔH_f, kcal/mol:	-95.01
Dipole, Da:	8.42
IP(EA), eV:	-9.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)N.Cl.Cl.Cl

DOS

IR

Vibrations