Geometry & MOs

Info

ID:

428714

PubChem CID:

135168028

Reduced:

SN2H48C78 (1)

Stoich.:

AB2C48D78 (1)

Weight, g/mol:

926.366099

ΔHf, kcal/mol:

348.05

Dipole, Da:

1.4

IP(EA), eV:

 -8.04(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)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]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C5=CC=CC=C54)N(C6=CC=C(C=C6)C7=C8C9=CC=CC=C9SC8=CC=C7)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