Geometry & MOs

Info

ID:

439824

PubChem CID:

135229667

Reduced:

NO2H41C63 (1)

Stoich.:

AB2C41D63 (1)

Weight, g/mol:

791.318815

ΔHf, kcal/mol:

222.91

Dipole, Da:

3.41

IP(EA), eV:

 -8.15(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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

C=C/C=C(\C=C/C1=CC2=C(C=C1)C3(C4=C(C5=CC=CC=C5C=C4)OC6=C3C=CC7=CC=CC=C76)C8=CC=CC=C82)/N(C9=CC=C(C=C9)C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations