Geometry & MOs

Info

ID:	9614
PubChem CID:	91558
Reduced:	ClN2O2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	360.160456
ΔH_f, kcal/mol:	-58.33
Dipole, Da:	2.38
IP(EA), eV:	-9.01(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations