Geometry & MOs

Info

ID:	49503
PubChem CID:	11533131
Reduced:	ClO2N5C26H32 (1)
Stoich.:	AB2C5D26E32 (1)
Weight, g/mol:	402.223318
ΔH_f, kcal/mol:	-31.29
Dipole, Da:	1.97
IP(EA), eV:	-8.83(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[(2-fluorophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol

Drug info:

PubChemData

Smile

CCN1C2=NC(=C(C(=C2C=N1)NC3CCOCC3)C(=O)NC(C)C4=CC=C(C=C4)Cl)C5CCC5

DOS

IR

Vibrations