Geometry & MOs

Info

ID:

378012

PubChem CID:

134224080

Reduced:

ON4H36C51 (1)

Stoich.:

AB4C36D51 (1)

Weight, g/mol:

736.320212

ΔHf, kcal/mol:

217.1

Dipole, Da:

6.44

IP(EA), eV:

 -8.98(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1E,3Z)-2-[3-[4-phenylmethoxy-3-(3-pyridin-3-ylphenyl)-5-[6-(3-pyridin-3-ylphenyl)pyridin-2-yl]phenyl]phenyl]penta-1,3-dienyl]methanimine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2C3=CC=CC(=N3)C4=CC=CC(=C4)C5=CN=CC=C5)C6=CC=CC(=C6)C7=CN=CC=C7)C8=CC=CC(=C8)C9=CN=CC=C9

DOS

IR

Vibrations