Geometry & MOs

Info

ID:	411925
PubChem CID:	135084781
Reduced:	ClON3C25H28 (1)
Stoich.:	ABC3D25E28 (1)
Weight, g/mol:	386.223238
ΔH_f, kcal/mol:	26.11
Dipole, Da:	11.02
IP(EA), eV:	-8.73(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(R)-[5-ethenyl-1-(pyridin-2-ylmethyl)-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=CC=CC=N5.[Cl-]

DOS

IR

Vibrations