Geometry & MOs

Info

ID:	28171
PubChem CID:	825981
Reduced:	SN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-59.99
Dipole, Da:	5.89
IP(EA), eV:	-8.5(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-[(2S)-4-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NC(=CS2)[C@]3(C[C@H](C(=O)O3)C(C)C)C

DOS

IR

Vibrations