Geometry & MOs

Info

ID:

446758

PubChem CID:

135277476

Reduced:

NSH45C60 (1)

Stoich.:

ABC45D60 (1)

Weight, g/mol:

709.243936

ΔHf, kcal/mol:

202.06

Dipole, Da:

2.12

IP(EA), eV:

 -7.9(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=C(C=C5C(=C4)C6=CC=CC=C6S5)C7=CC=C(C=C7)N(C8=CC=C(C=C8)C9=CC=CC=C9)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C

DOS

IR

Vibrations