Geometry & MOs

Info

ID:

395877

PubChem CID:

135026821

Reduced:

ON3C13H13 (2)

Stoich.:

AB3C13D13 (2)

Weight, g/mol:

495.239616

ΔHf, kcal/mol:

78.62

Dipole, Da:

1.96

IP(EA), eV:

 -8.63(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

3-(cyclopenta-1,4-dien-1-ylmethylamino)-4-[[(R)-(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

CC1=CC(=NN1C2=NN=C3N(N2)C(C4=C(O3)CC(CC4=O)(C)C)C5=CC6=CC=CC=C6C=C5)C

DOS

IR

Vibrations