Geometry & MOs

Info

ID:	6409
PubChem CID:	68544
Reduced:	ClNOC12H18 (2)
Stoich.:	ABCD12E18 (2)
Weight, g/mol:	454.215384
ΔH_f, kcal/mol:	-146.94
Dipole, Da:	4.78
IP(EA), eV:	-8.79(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(3-methylbutoxy)quinolin-4-yl]methanol;dihydrochloride

Drug info:

PubChemData

Smile

CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OCCC(C)C)O.Cl.Cl

DOS

IR

Vibrations