Geometry & MOs

Info

ID:

439905

PubChem CID:

135229761

Reduced:

NOH45C66 (1)

Stoich.:

ABC45D66 (1)

Weight, g/mol:

751.287515

ΔHf, kcal/mol:

222.97

Dipole, Da:

1.52

IP(EA), eV:

 -8.01(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenyl-N-[4-(4-phenylphenyl)phenyl]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]-3'-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC2=CC=CC=C21)C1=CC=CC=C1C1=CC=CC=C1)C

DOS

IR

Vibrations