Geometry & MOs

Info

ID:	412633
PubChem CID:	135085530
Reduced:	NO4C23H31 (1)
Stoich.:	AB4C23D31 (1)
Weight, g/mol:	482.1369
ΔH_f, kcal/mol:	-119.76
Dipole, Da:	3.93
IP(EA), eV:	-8.49(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C[C@@H](OCCOCCOCCO[C@H](C1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations