Geometry & MOs

Info

ID:

439723

PubChem CID:

135229526

Reduced:

NO2H43C66 (1)

Stoich.:

AB2C43D66 (1)

Weight, g/mol:

827.318815

ΔHf, kcal/mol:

192.41

Dipole, Da:

1.6

IP(EA), eV:

 -7.99(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-phenylphenyl)-N-[4-(2-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=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)C7(C8=C(C9=CC=CC=C9C=C8)OC1=C7C=CC2=CC=CC=C21)C1=CC=CC=C16)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C

DOS

IR

Vibrations