Geometry & MOs

Info

ID:

428802

PubChem CID:

135168181

Reduced:

N2H50C75 (1)

Stoich.:

A2B50C75 (1)

Weight, g/mol:

976.345364

ΔHf, kcal/mol:

310.31

Dipole, Da:

2.19

IP(EA), eV:

 -7.98(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC5=C(C=C4)C6=C(C5(C7=CC=CC=C7)C8=CC=CC=C8)C=CC9=CC=CC=C96)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C

DOS

IR

Vibrations