Geometry & MOs

Info

ID:

439617

PubChem CID:

135229403

Reduced:

NOH40C63 (2)

Stoich.:

ABC40D63 (2)

Weight, g/mol:

751.287515

ΔHf, kcal/mol:

476.71

Dipole, Da:

2.17

IP(EA), eV:

 -8.17(-0.76)

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]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC7=C6C8=CC=CC=C8C79C1=C(C2=C(C=CC=C2C2=CC(=CC=C2)C2=C(C=CC(=C2)N(C2=CC=C(C=C2)C2=CC=CC=C2)C2=CC=CC3=C2C2=CC=CC=C2C32C3=C(C4=CC=CC=C4C=C3)OC3=C2C=CC2=CC=CC=C23)C2=CC=CC=C2)C=C1)OC1=C9C=CC2=CC=CC=C21

DOS

IR

Vibrations