Geometry & MOs

Info

ID:	411931
PubChem CID:	135084787
Reduced:	BrON2F4H25C26 (1)
Stoich.:	ABC2D4E25F26 (1)
Weight, g/mol:	457.190301
ΔH_f, kcal/mol:	-141.82
Dipole, Da:	12.19
IP(EA), eV:	-8.03(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

DOS

IR

Vibrations