Geometry & MOs

Info

ID:

439942

PubChem CID:

135229798

Reduced:

ON2H32C51 (1)

Stoich.:

AB2C32D51 (1)

Weight, g/mol:

837.303165

ΔHf, kcal/mol:

196.64

Dipole, Da:

0.17

IP(EA), eV:

 -7.46(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)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

C1=CC=C(C=C1)N2C3=CC=CC=C3N(C4=CC=CC=C42)C5=CC6=C(C=C5)C7(C8=C(C9=CC=CC=C9C=C8)OC1=C7C=CC2=CC=CC=C21)C1=CC=CC=C16

DOS

IR

Vibrations