Geometry & MOs

Info

ID:

412552

PubChem CID:

135085448

Reduced:

IN2O4C26H27 (1)

Stoich.:

AB2C4D26E27 (1)

Weight, g/mol:

541.366828

ΔHf, kcal/mol:

-64.44

Dipole, Da:

7.66

IP(EA), eV:

 -8.65(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6E)-2,4-ditert-butyl-6-[[[(S)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C1=CC=CC=C1)OC2=C(C(=CC=C2)O[C@H](C)C(=O)N(C)C3=CC=CC=C3)I

DOS

IR

Vibrations