Geometry & MOs

Info

ID:

327778

PubChem CID:

126691045

Reduced:

NOSH31C46 (1)

Stoich.:

ABCD31E46 (1)

Weight, g/mol:

697.278093

ΔHf, kcal/mol:

206.71

Dipole, Da:

2.72

IP(EA), eV:

 -8.09(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[10-(4-fluorophenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

Drug info:

PubChemData

Smile

C1CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)N(C5=CC=C(C=C5)C6=CC7=C(C=C6)SC8=CC=CC=C87)C9=CC=CC1=CC=CC=C19

DOS

IR

Vibrations