Geometry & MOs

Info

ID:

440041

PubChem CID:

135229926

Reduced:

NOSH45C66 (1)

Stoich.:

ABCD45E66 (1)

Weight, g/mol:

1077.397065

ΔHf, kcal/mol:

218.71

Dipole, Da:

3.88

IP(EA), eV:

 -7.85(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-4-yl)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

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC5=C(C=C4)SC6=C5CCC=C6)C7=CC=CC(=C7)C8=CC9=C(C=C8)C1=CC=CC=C1C91C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C

DOS

IR

Vibrations