Geometry & MOs

Info

ID:

428835

PubChem CID:

135168283

Reduced:

NH25C37 (2)

Stoich.:

AB25C37 (2)

Weight, g/mol:

914.366099

ΔHf, kcal/mol:

480.14

Dipole, Da:

1.54

IP(EA), eV:

 -8.08(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-phenanthren-9-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]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC5=C4C6C=CC=CC6C5(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC1=C9C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations