Geometry & MOs

Info

ID:

439616

PubChem CID:

135229402

Reduced:

NOH41C63 (1)

Stoich.:

ABC41D63 (1)

Weight, g/mol:

1653.625335

ΔHf, kcal/mol:

231.35

Dipole, Da:

0.63

IP(EA), eV:

 -8.08(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]-5-[3-[2-phenyl-5-(4-phenyl-N-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'-ylanilino)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4C5=CC=CC=C5)C6=CC=CC7=C6C8=CC=CC=C8C79C1=C(C2=CC=CC=C2C=C1)OC1=C9C=CC2=CC=CC=C21

DOS

IR

Vibrations