Geometry & MOs

Info

ID:	393314
PubChem CID:	135020081
Reduced:	NOSH15C21 (1)
Stoich.:	ABCD15E21 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	78.26
Dipole, Da:	3.7
IP(EA), eV:	-8.46(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=CC=CC=C3C=C2S(=O)C4=CC=CC=N4

DOS

IR

Vibrations