Geometry & MOs

Info

ID:

439654

PubChem CID:

135229441

Reduced:

O2H48C73 (1)

Stoich.:

A2B48C73 (1)

Weight, g/mol:

791.318815

ΔHf, kcal/mol:

219.46

Dipole, Da:

1.04

IP(EA), eV:

 -8.41(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-3-yl)-N-(3-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]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)C(CCC4=CC5=C(C=C4)C6=CC=CC=C6C57C8=C(C9=CC=CC=C9C=C8)OC1=C7C=CC3=CC=CC=C31)C1=CC3=C(C=C1)OC1=CC=CC=C13)C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations