Geometry & MOs

Info

ID:

428979

PubChem CID:

135168564

Reduced:

ON2H46C74 (1)

Stoich.:

AB2C46D74 (1)

Weight, g/mol:

886.334799

ΔHf, kcal/mol:

301.59

Dipole, Da:

2.88

IP(EA), eV:

 -7.97(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC=C(C=C5)C6=CC7=C(C=C6)OC8=CC=CC=C87)C9=CC1=C(C=C9)N2C3=CC=CC=C3C3(C4=CC=CC=C4C4=CC=CC=C43)C3=CC=CC1=C32)C1=CC=CC=C1

DOS

IR

Vibrations