Geometry & MOs

Info

ID:	49889
PubChem CID:	11534140
Reduced:	IN2F3O6C19H20 (1)
Stoich.:	AB2C3D6E19F20 (1)
Weight, g/mol:	556.283826
ΔH_f, kcal/mol:	-294.15
Dipole, Da:	3.01
IP(EA), eV:	-9.1(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(R)-(2,5-diphenylpyrimidin-4-yl)oxy-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinoline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1I)F)NC2=C(C=C(C(=C2F)F)COCC(CO)O)C(=O)NOCCO

DOS

IR

Vibrations