Geometry & MOs

Info

ID:

440019

PubChem CID:

135229891

Reduced:

NSH47C67 (1)

Stoich.:

ABC47D67 (1)

Weight, g/mol:

867.350115

ΔHf, kcal/mol:

249.06

Dipole, Da:

0.94

IP(EA), eV:

 -8.09(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dimethyl-N-(3-phenylphenyl)-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]-2'-ylphenyl)fluoren-3-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C8=C(CCC9=C6C=CC1=CC=CC=C91)C1=CC=CC=C1C=C8)C1=CC2=C(C=C1)C1=CC=CC=C1S2)C

DOS

IR

Vibrations