Geometry & MOs

Info

ID:

426422

PubChem CID:

135144051

Reduced:

ON4H30C45 (1)

Stoich.:

AB4C30D45 (1)

Weight, g/mol:

750.335862

ΔHf, kcal/mol:

264.68

Dipole, Da:

0.95

IP(EA), eV:

 -8.67(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-cyclohexa-1,3-dien-1-ylphenyl)-9-[3-[4-[2-[(Z)-hex-4-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=NC(=NC(=N6)C7=CC8C(C=C7)C9=CC=CC=C9O8)C1=CC=CC=C1

DOS

IR

Vibrations