Geometry & MOs

Info

ID:

441825

PubChem CID:

135245418

Reduced:

ON4H24C38 (1)

Stoich.:

AB4C24D38 (1)

Weight, g/mol:

481.27695

ΔHf, kcal/mol:

189.32

Dipole, Da:

1.34

IP(EA), eV:

 -9.01(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(5E)-1-[(Z)-but-1-en-3-ynyl]-5-[(Z)-hex-2-enylidene]-2-methylspiro[cyclopentene-3,9'-fluorene]-2'-yl]methyl]-1-phenylmethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=C(C=CC4=CC=CC=C43)C5=CC=C(C=C5)C6=NC7=CC=CC=C7O6)C8=CC=CC=C8

DOS

IR

Vibrations