Geometry & MOs

Info

ID:	395740
PubChem CID:	135026424
Reduced:	FNOH5C7 (2)
Stoich.:	ABCD5E7 (2)
Weight, g/mol:	508.247441
ΔH_f, kcal/mol:	-112.55
Dipole, Da:	4.74
IP(EA), eV:	-8.5(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzylamino)-4-[[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]amino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)N(C=O)C(=O)C2=C(C=CC=C2F)F

DOS

IR

Vibrations