Geometry & MOs

Info

ID:

428904

PubChem CID:

135168419

Reduced:

NH23C36 (2)

Stoich.:

AB23C36 (2)

Weight, g/mol:

862.334799

ΔHf, kcal/mol:

320.48

Dipole, Da:

1.15

IP(EA), eV:

 -7.76(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-ylspiro[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=CC=C(C=C5)C6=CC=CC7=CC=CC=C76)C8=CC9=C(C=C8)N1C2=CC=CC=C2C2=C1C(=CC=C2)C91C2=CC=CC=C2C2=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations