Geometry & MOs

Info

ID:

439811

PubChem CID:

135229654

Reduced:

NOH41C60 (1)

Stoich.:

ABC41D60 (1)

Weight, g/mol:

1505.503505

ΔHf, kcal/mol:

199.06

Dipole, Da:

1.89

IP(EA), eV:

 -7.91(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-naphthalen-2-yl-N-(4-phenylphenyl)-6-[6-(4-phenyl-N-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'-ylanilino)dibenzothiophen-2-yl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=C(C9=CC=CC=C9C=C8)OC1=C7C=CC2=CC=CC=C21)C1=CC=CC=C1C1=CC=CC=C1)C

DOS

IR

Vibrations