Geometry & MOs

Info

ID:

439674

PubChem CID:

135229476

Reduced:

NOH36C57 (2)

Stoich.:

ABC36D57 (2)

Weight, g/mol:

791.318815

ΔHf, kcal/mol:

416.7

Dipole, Da:

1.17

IP(EA), eV:

 -8.01(-0.7)

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]-3'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC(=CC=C4)C5=CC=CC6=C5C7=C(C=C6)C8(C9=C(C=C(C=C9)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1C1=CC=CC=C1)C1=CC=CC=C18)C1=C(O7)C2=CC=CC=C2C=C1)C1=CC2=C(C=C1)C1(C3=C(C4=CC=CC=C4C=C3)OC3=C1C=CC1=CC=CC=C13)C1=CC=CC=C12

DOS

IR

Vibrations