Geometry & MOs

Info

ID:

446728

PubChem CID:

135277224

Reduced:

NSH41C61 (1)

Stoich.:

ABC41D61 (1)

Weight, g/mol:

613.240565

ΔHf, kcal/mol:

258.82

Dipole, Da:

1.69

IP(EA), eV:

 -7.93(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=C(C=C5C6=CC=CC=C6SC5=C4)C7=CC=CC=C7)C8=CC9=C(C=C8)C1=CC=CC=C1C9(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations