Geometry & MOs

Info

ID:

428390

PubChem CID:

135167184

Reduced:

NH24C35 (2)

Stoich.:

AB24C35 (2)

Weight, g/mol:

876.350449

ΔHf, kcal/mol:

279.85

Dipole, Da:

0.69

IP(EA), eV:

 -7.9(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-N-[2-(3-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=C6C7=CC=CC=C7C8(C6=CC=C5)C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2)C1=CC=CC=C1C1=CC=CC(=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations