Geometry & MOs

Info

ID:	411952
PubChem CID:	135084808
Reduced:	BrN2O2F3C27H28 (1)
Stoich.:	AB2C2D3E27F28 (1)
Weight, g/mol:	524.223056
ΔH_f, kcal/mol:	-139.81
Dipole, Da:	15.63
IP(EA), eV:	-8.56(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(R)-(1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethyl] benzoate;chloride

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H](C3CC4CC[N+]3(CC4C=C)CC5=C(C(=C(C=C5)F)F)F)O.[Br-]

DOS

IR

Vibrations