Geometry & MOs

Info

ID:

428695

PubChem CID:

135167946

Reduced:

N3H51C80 (1)

Stoich.:

A3B51C80 (1)

Weight, g/mol:

912.350449

ΔHf, kcal/mol:

360.21

Dipole, Da:

1.79

IP(EA), eV:

 -8.01(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-naphthalen-2-ylspiro[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]-2'-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)C8=CC=CC=C8N7C9=CC=CC=C9)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1

DOS

IR

Vibrations