Geometry & MOs

Info

ID:	394713
PubChem CID:	135023602
Reduced:	NO5C28H51 (1)
Stoich.:	AB5C28D51 (1)
Weight, g/mol:	396.223305
ΔH_f, kcal/mol:	-304.9
Dipole, Da:	3.54
IP(EA), eV:	-10.0(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(S)-[(2R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-trimethylsilane

Drug info:

PubChemData

Smile

CCCCCCCCCC[C@H]1[C@@H](OC1=O)C[C@H](CCCCCCC)OC(=O)[C@H](C(C)C)NC=O

DOS

IR

Vibrations