Geometry & MOs

Info

ID:

428722

PubChem CID:

135168036

Reduced:

N2H46C71 (1)

Stoich.:

A2B46C71 (1)

Weight, g/mol:

1028.376664

ΔHf, kcal/mol:

299.97

Dipole, Da:

0.86

IP(EA), eV:

 -7.9(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-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

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=CC=CC=C8N9C1=CC=CC=C1C1=C9C7=CC=C1)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12)C

DOS

IR

Vibrations