Geometry & MOs

Info

ID:

446780

PubChem CID:

135277632

Reduced:

NOH45C63 (1)

Stoich.:

ABC45D63 (1)

Weight, g/mol:

747.259586

ΔHf, kcal/mol:

209.34

Dipole, Da:

1.97

IP(EA), eV:

 -7.89(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(2-dibenzothiophen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=C(C6=C(C=C5)C7=CC=CC=C7O6)C8=CC=C(C=C8)C9=CC=CC=C9)C1=CC=C(C=C1)C1=CC=CC=C1C1=CC=CC=C1)C

DOS

IR

Vibrations