Geometry & MOs

Info

ID:

439661

PubChem CID:

135229448

Reduced:

NOH45C66 (1)

Stoich.:

ABC45D66 (1)

Weight, g/mol:

867.350115

ΔHf, kcal/mol:

220.64

Dipole, Da:

2.02

IP(EA), eV:

 -8.12(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dimethyl-N-(3-phenylphenyl)-N-(4-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'-ylphenyl)fluoren-2-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC=C(C=C4)C5=C6C7=CC=CC=C7C8(C6=CC=C5)C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC2=CC=CC=C21)C1=CC=CC(=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations