Geometry & MOs

Info

ID:	411962
PubChem CID:	135084818
Reduced:	BrON2F6H27C28 (1)
Stoich.:	ABC2D6E27F28 (1)
Weight, g/mol:	521.202757
ΔH_f, kcal/mol:	-260.88
Dipole, Da:	20.25
IP(EA), eV:	-6.8(-2.56)
Spin(S_z, S²):	None, None
Charge, e:	1

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

Drug info:

PubChemData

Smile

C=CC1C[N+]2(CCC1CC2[C@@H](C3=CC=NC4=CC=CC=C34)O)CC5=C(C=CC(=C5)C(F)(F)F)C(F)(F)F.[Br-]

DOS

IR

Vibrations