Geometry & MOs

Info

ID:	393327
PubChem CID:	135020142
Reduced:	NO5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	-118.65
Dipole, Da:	3.96
IP(EA), eV:	-8.72(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(S)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C2=NCCC3=C(C(=C(C=C32)OC)OC)OC

DOS

IR

Vibrations