Geometry & MOs

Info

ID:

442500

PubChem CID:

135252489

Reduced:

SN5H47C68 (1)

Stoich.:

AB5C47D68 (1)

Weight, g/mol:

858.347095

ΔHf, kcal/mol:

341.55

Dipole, Da:

1.87

IP(EA), eV:

 -7.91(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-3-ylphenyl)carbazol-3-yl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NSC(=N2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C6=C(C=C(C=C6)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9)C1=C5C=CC(=C1)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations