Geometry & MOs

Info

ID:

439736

PubChem CID:

135229539

Reduced:

NO2H51C82 (1)

Stoich.:

AB2C51D82 (1)

Weight, g/mol:

913.334465

ΔHf, kcal/mol:

286.59

Dipole, Da:

2.6

IP(EA), eV:

 -8.23(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=C(C=C5)C6=C7C8=CC=CC=C8C9(C7=CC=C6)C1=C(C2=CC=CC=C2C=C1)OC1=C9C=CC2=CC=CC=C21)C1=CC=C(C=C1)C1=C2C3=CC=CC=C3OC2=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations