Geometry & MOs

Info

ID:	28155
PubChem CID:	825909
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	-8.17
Dipole, Da:	1.99
IP(EA), eV:	-8.31(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-[(2S,4R,6S)-6-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol

Drug info:

PubChemData

Smile

C=C[C@H]1CN2CC[C@H]1C[C@@H]2C3=C(C4=CC=CC=C4N3)CCO

DOS

IR

Vibrations