Geometry & MOs

Info

ID:

439951

PubChem CID:

135229822

Reduced:

NO2H51C82 (1)

Stoich.:

AB2C51D82 (1)

Weight, g/mol:

831.350115

ΔHf, kcal/mol:

285.27

Dipole, Da:

2.36

IP(EA), eV:

 -7.92(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-3-yl)-N-(9,9-dimethylfluoren-4-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]-2'-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=CC7=C(C=C6)OC8=CC=CC=C87)C9=CC=C(C=C9)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations