Geometry & MOs

Info

ID:

439788

PubChem CID:

135229608

Reduced:

ON2H44C64 (1)

Stoich.:

AB2C44D64 (1)

Weight, g/mol:

827.318815

ΔHf, kcal/mol:

224.85

Dipole, Da:

3.12

IP(EA), eV:

 -7.77(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-N-(4-phenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)aniline

Drug info:

PubChemData

Smile

CC1CC2=C(C=C1)C=CC3=C2OC4=C(C35C6=CC=CC=C6C7=C5C=C(C=C7)N(C8=CC=C(C=C8)C9=CC=CC=C9)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1)C=CC1=CC=CC=C14

DOS

IR

Vibrations