Geometry & MOs

Info

ID:

426423

PubChem CID:

135144052

Reduced:

ON4H42C53 (1)

Stoich.:

AB4C42D53 (1)

Weight, g/mol:

798.335862

ΔHf, kcal/mol:

203.31

Dipole, Da:

1.41

IP(EA), eV:

 -8.21(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[(3E)-5-[4-(5a,9a-dihydrodibenzofuran-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]hexa-1,3,5-trien-3-yl]phenyl]-2-(2-phenylphenyl)carbazole

Drug info:

PubChemData

Smile

C/C=C\CCCC1=CC2=C(O1)C=CC(=C2)C3=NC(=NC(=N3)C4=CC(=CC=C4)N5C6=CC=CC=C6C7=C5C=C(C=C7)C8=CC=CC=C8C9=CC=CCC9)C1=CC=CC=C1

DOS

IR

Vibrations