Geometry & MOs

Info

ID:

439618

PubChem CID:

135229404

Reduced:

NOH37C57 (1)

Stoich.:

ABC37D57 (1)

Weight, g/mol:

751.287515

ΔHf, kcal/mol:

207.27

Dipole, Da:

0.71

IP(EA), eV:

 -8.15(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,5-diphenylphenyl)-N-phenylspiro[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'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC6=C5C7=CC=CC=C7C68C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC2=CC=CC=C21

DOS

IR

Vibrations