Geometry & MOs

Info

ID:

428905

PubChem CID:

135168420

Reduced:

NH21C33 (2)

Stoich.:

AB21C33 (2)

Weight, g/mol:

964.38175

ΔHf, kcal/mol:

298.38

Dipole, Da:

1.01

IP(EA), eV:

 -7.8(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-4-yl)-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(19),15,17-nonaene-13,9'-fluorene]-16-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC6=C(C=C5)N7C8=CC=CC=C8C9=C7C(=CC=C9)C61C2=CC=CC=C2C2=CC=CC=C12)C1=CC=CC2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations