Geometry & MOs

Info

ID:

439888

PubChem CID:

135229744

Reduced:

NOH51C83 (1)

Stoich.:

ABC51D83 (1)

Weight, g/mol:

975.40763

ΔHf, kcal/mol:

329.66

Dipole, Da:

0.85

IP(EA), eV:

 -8.22(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dimethyl-N-[4-[(3Z)-4-(3-methyl-1-benzofuran-2-yl)buta-1,3-dien-2-yl]phenyl]-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'-3,4-dihydrofluorene]-4'-ylphenyl)fluoren-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC6=C(C=C5)C7(C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC=C16)C1=CC=CC2=C1C1=CC=CC=C1C21C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations