Geometry & MOs

Info

ID:

395741

PubChem CID:

135026429

Reduced:

O3N4C31H32 (1)

Stoich.:

A3B4C31D32 (1)

Weight, g/mol:

466.236876

ΔHf, kcal/mol:

29.75

Dipole, Da:

5.5

IP(EA), eV:

 -8.21(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(cyclopenta-2,4-dien-1-ylmethylamino)-4-[[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethyl]amino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H](C3CC4CCN3CC4C=C)NC5=C(C(=O)C5=O)NCC6=CC=CC=C6

DOS

IR

Vibrations