Geometry & MOs

Info

ID:	412297
PubChem CID:	135085182
Reduced:	BrFN2O2C27H32 (1)
Stoich.:	ABC2D2E27F32 (1)
Weight, g/mol:	482.1369
ΔH_f, kcal/mol:	-69.18
Dipole, Da:	17.35
IP(EA), eV:	-7.3(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-[5-ethenyl-1-[(3-fluorophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;bromide

Drug info:

PubChemData

Smile

CCC1C[N+]2(CCC1CC2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)O)CC5=CC=CC=C5F.[Br-]

DOS

IR

Vibrations