Geometry & MOs

Info

ID:

436315

PubChem CID:

135198871

Reduced:

N4H42C53 (1)

Stoich.:

A4B42C53 (1)

Weight, g/mol:

859.392649

ΔHf, kcal/mol:

253.28

Dipole, Da:

4.45

IP(EA), eV:

 -8.34(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

21-[4-[(E)-2-[(8aS)-1-ethenyl-6-(1,10-phenanthrolin-4-yl)-4a,8a-dihydronaphthalen-2-yl]ethenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-2,5,7,11,13,17,19-heptaene

Drug info:

PubChemData

Smile

C/C=C\C(=C/C=C)\C(=NC(=C)C1=C(C=CC(=N1)C2=CC3=C(C=C2)N=C(C=C3)C4=CC=C(C=C4)C5=NC6=C(C7=CC=CC=C7C8=C6C=CCC8)C9=CC=CC=C95)C)C

DOS

IR

Vibrations