Geometry & MOs

Info

ID:	411961
PubChem CID:	135084817
Reduced:	FeN2C24H34 (1)
Stoich.:	AB2C24D34 (1)
Weight, g/mol:	600.1211
ΔH_f, kcal/mol:	101.04
Dipole, Da:	4.79
IP(EA), eV:	-7.42(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;bromide

Drug info:

PubChemData

Smile

[CH3-].[CH3-].C[C-]1C(=C(C(=C1C)C)C)C.C1CCN(C1)C2=C3[CH-]C=CC3=NC=C2.[Fe+4]

DOS

IR

Vibrations