Geometry & MOs

Info

ID:	49772
PubChem CID:	11533794
Reduced:	BrFNO2C29H33 (1)
Stoich.:	ABCD2E29F33 (1)
Weight, g/mol:	446.249532
ΔH_f, kcal/mol:	-75.42
Dipole, Da:	12.21
IP(EA), eV:	-7.9(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[2-[(3-fluorophenyl)methoxy]ethyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol

Drug info:

PubChemData

Smile

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC(=CC=C5)F.[Br-]

DOS

IR

Vibrations