Geometry & MOs

Info

ID:	411927
PubChem CID:	135084783
Reduced:	BrON2F3C26H26 (1)
Stoich.:	ABC2D3E26F26 (1)
Weight, g/mol:	439.199723
ΔH_f, kcal/mol:	-101.73
Dipole, Da:	12.08
IP(EA), eV:	-8.3(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(R)-[5-ethenyl-1-[(2,3,4-trifluorophenyl)methyl]-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(=C(C=C5)F)F)F.[Br-]

DOS

IR

Vibrations