Geometry & MOs

Info

ID:

439722

PubChem CID:

135229525

Reduced:

ClF2O2N5C30H32 (1)

Stoich.:

AB2C2D5E30F32 (1)

Weight, g/mol:

881.32938

ΔHf, kcal/mol:

-103.83

Dipole, Da:

6.17

IP(EA), eV:

 -8.71(-1.1)

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-3-amine

Drug info:

PubChemData

Smile

C1CCC(C2=NC(=CN=C2NCC1)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C(=O)C5=C(C=CC(=C5Cl)F)F

DOS

IR

Vibrations