Geometry & MOs

Info

ID:

439933

PubChem CID:

135229789

Reduced:

NOH47C71 (1)

Stoich.:

ABC47D71 (1)

Weight, g/mol:

913.334465

ΔHf, kcal/mol:

255.04

Dipole, Da:

2.05

IP(EA), eV:

 -8.04(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-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]-2'-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC2=CC=CC=C12)C3(C4=CC=CC=C4C5=C3C=C(C=C5)N(C6=CC=CC(=C6)C7=CC=CC=C7)C8=CC=CC9=C8C1=CC=CC=C1C91C2=CC=CC=C2C2=CC=CC=C12)C1=C(C2=CC=CC=C2C=C1)O

DOS

IR

Vibrations