Geometry & MOs

Info

ID:

449543

PubChem CID:

135299455

Reduced:

NH51C77 (1)

Stoich.:

AB51C77 (1)

Weight, g/mol:

825.33955

ΔHf, kcal/mol:

315.47

Dipole, Da:

1.48

IP(EA), eV:

 -7.96(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(3,5-diphenylphenyl)phenyl]-3-phenanthren-2-yl-N-(3-phenanthren-2-ylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=C(C=C5)C6=CC(=CC=C6)C7=CC8=C(C=C7)C9=CC=CC=C9C=C8)C1=CC=C(C=C1)C1=CC(=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1C=C2)C1=CC=CC=C1

DOS

IR

Vibrations