Geometry & MOs

Info

ID:	412291
PubChem CID:	135085176
Reduced:	BrON2F5H24C26 (1)
Stoich.:	ABC2D5E24F26 (1)
Weight, g/mol:	475.180879
ΔH_f, kcal/mol:	-160.42
Dipole, Da:	19.91
IP(EA), eV:	-6.81(-2.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(R)-[5-ethenyl-1-[(2,3,4,5,6-pentafluorophenyl)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(=C5F)F)F)F)F.[Br-]

DOS

IR

Vibrations