Geometry & MOs

Info

ID:

440010

PubChem CID:

135229881

Reduced:

NOH45C70 (1)

Stoich.:

ABC45D70 (1)

Weight, g/mol:

897.36068

ΔHf, kcal/mol:

264.54

Dipole, Da:

0.9

IP(EA), eV:

 -8.07(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(10,10-dimethyl-6,7-dihydro-5H-benzo[a]azulen-6-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC(=C5)C6=CC7=C(C=C6)C8(C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC3=CC=CC=C31)C1=CC=CC=C17)C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations