Geometry & MOs

Info

ID:	30963
PubChem CID:	854003
Reduced:	ON2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	294.173213
ΔH_f, kcal/mol:	9.98
Dipole, Da:	1.57
IP(EA), eV:	-9.53(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]2NC(=O)N3N2C(=O)N[C@@H]3C4=CC=CC=C4

DOS

IR

Vibrations