Geometry & MOs

Info

ID:

439966

PubChem CID:

135229837

Reduced:

N2O2H64C99 (1)

Stoich.:

A2B2C64D99 (1)

Weight, g/mol:

1465.562734

ΔHf, kcal/mol:

333.4

Dipole, Da:

1.04

IP(EA), eV:

 -8.04(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-[4-[4-(N-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'-ylanilino)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC6=C5C7=CC=CC=C7C68C9=C(C1=C(C=CC(=C1)C1=CC(=CC=C1)N(C1=CC=CC=C1)C1=CC=CC2=C1C1=CC=CC=C1C21C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C=C9)OC1=C8C=CC2=CC=CC=C21)C

DOS

IR

Vibrations