Geometry & MOs

Info

ID:

439897

PubChem CID:

135229753

Reduced:

NOSH39C58 (1)

Stoich.:

ABCD39E58 (1)

Weight, g/mol:

867.350115

ΔHf, kcal/mol:

199.78

Dipole, Da:

1.37

IP(EA), eV:

 -7.86(-0.66)

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-4-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C3C=C2)OC4=C1C=CC5=CC=CC=C54)C6=CC=CC=C6C7=CC=C(C=C7)N(C8=CC=C(C=C8)C9=CC=CC=C9)C1=CC=CC2=C1SC1=CC=CC=C21

DOS

IR

Vibrations