Geometry & MOs

Info

ID:

440011

PubChem CID:

135229882

Reduced:

NO2H47C67 (1)

Stoich.:

AB2C47D67 (1)

Weight, g/mol:

897.36068

ΔHf, kcal/mol:

221.99

Dipole, Da:

1.1

IP(EA), eV:

 -8.16(-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-2-amine

Drug info:

PubChemData

Smile

CC1(C2=C(CC(CC=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)C6(C7=C(C8=CC=CC=C8C=C7)OC9=C6C=CC2=CC=CC=C29)C2=CC=CC=C25)C2=CC3=C(C=C2)C2=CC=CC=C2O3)C2=CC=CC=C21)C

DOS

IR

Vibrations