Geometry & MOs

Info

ID:	28169
PubChem CID:	825970
Reduced:	SN2O4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-159.12
Dipole, Da:	4.18
IP(EA), eV:	-9.11(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@]1(C[C@](OC1=O)(C)C2=CSC(=N2)N)C(=O)OCC

DOS

IR

Vibrations