Geometry & MOs

Info

ID:

428447

PubChem CID:

135167363

Reduced:

NH24C37 (2)

Stoich.:

AB24C37 (2)

Weight, g/mol:

876.350449

ΔHf, kcal/mol:

328.62

Dipole, Da:

1.81

IP(EA), eV:

 -7.89(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]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]-10-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC=CC5=C4C6=CC=CC=C6C5(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC1=C2C(=C9)C3(C4=CC=CC=C4C4=CC=CC=C43)C3=CC=CC=C3N2C2=CC=CC=C21

DOS

IR

Vibrations