Geometry & MOs

Info

ID:

426443

PubChem CID:

135144183

Reduced:

N3H29C44 (1)

Stoich.:

A3B29C44 (1)

Weight, g/mol:

1240.442636

ΔHf, kcal/mol:

216.29

Dipole, Da:

2.34

IP(EA), eV:

 -8.25(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3'-dibenzofuran-2-yl-9'-methylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-9'-yl)methyl]-2'-dibenzothiophen-2-yl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-anthracene]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=CC=C4)N5C6=CC=CC=C6C7=C5C=C(C=C7)C8=CC=CC9=CC=CC=C98

DOS

IR

Vibrations