Geometry & MOs

Info

ID:

143700

PubChem CID:

53250937

Reduced:

FN2H21C22 (1)

Stoich.:

AB2C21D22 (1)

Weight, g/mol:

964.539907

ΔHf, kcal/mol:

19.94

Dipole, Da:

1.87

IP(EA), eV:

-8.19(-0.58)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[4-[(E)-2-[5-[2-[9,9-dibutyl-7-[2-[5-[(E)-2-[4-(dihexylamino)phenyl]ethenyl]thiophen-2-yl]ethynyl]fluoren-2-yl]ethynyl]thiophen-2-yl]ethenyl]-N-ethylanilino]ethanol

Drug info:

PubChemData

Smile

C1CN2CCC1C3=C(C2)C4=CC=CC(=C4N3)/C=C/C5=CC=C(C=C5)F

DOS

IR

Vibrations