Geometry & MOs

Info

ID:	411862
PubChem CID:	135084707
Reduced:	N4C24H25 (1)
Stoich.:	A4B24C25 (1)
Weight, g/mol:	508.227965
ΔH_f, kcal/mol:	80.11
Dipole, Da:	4.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.143410
Charge, e:	0

Chem-info

IUPAC name:

[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-diphenylphosphane

Drug info:

PubChemData

Smile

C1CCC(C(C1)NC2=[NH+]C3=CC=CC=C3C=C2)NC4=NC5=CC=CC=C5C=C4

DOS

IR

Vibrations