Geometry & MOs

Info

ID:

439720

PubChem CID:

135229523

Reduced:

ClOF2N5C27H36 (1)

Stoich.:

ABC2D5E27F36 (1)

Weight, g/mol:

881.32938

ΔHf, kcal/mol:

-72.45

Dipole, Da:

1.98

IP(EA), eV:

 -8.49(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-(4-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'-ylphenyl)dibenzofuran-1-amine

Drug info:

PubChemData

Smile

CC1=C2C(CCCCCNC2=NC=C1C(=O)NCCN3CCN(CC3)C)CC4=C(C=CC(=C4Cl)F)F

DOS

IR

Vibrations