Geometry & MOs

Info

ID:

313382

PubChem CID:

126614188

Reduced:

NOC131H167 (1)

Stoich.:

ABC131D167 (1)

Weight, g/mol:

1757.292474

ΔHf, kcal/mol:

-56.1

Dipole, Da:

1.87

IP(EA), eV:

 -7.69(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(2,6-diphenylphenyl)-3-(12-heptyl-6,6,12-trioctylindeno[1,2-b]fluoren-2-yl)-7-(6,12,12-triheptyl-6-octylindeno[1,2-b]fluoren-2-yl)phenoxazine

Drug info:

PubChemData

Smile

CCCCCCCCC1(C2=CC=CC=C2C3=CC4=C(C=C31)C5=C(C4(CCCCCCC)CCCCCCC)C=C(C=C5)C6=CC7=C(C=C6)N(C8=C(O7)C=C(C=C8)C9=CC1=C(C=C9)C2=C(C1(CCCCCCC)CCCCCCCC)C=C1C3=CC=CC=C3C(C1=C2)(CCCCCCCC)CCCCCCCC)C1=C(C=CC=C1C1=CC=CC=C1)C1=CC=CC=C1)CCCCCCCC

DOS

IR

Vibrations