Geometry & MOs

Info

ID:

319541

PubChem CID:

126656585

Reduced:

ON3H37C48 (1)

Stoich.:

AB3C37D48 (1)

Weight, g/mol:

655.262363

ΔHf, kcal/mol:

184.04

Dipole, Da:

1.75

IP(EA), eV:

 -8.12(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(2,6-diphenylpyrimidin-4-yl)-6-(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

CC1CC2=C(C=C1)C3=CC(=C4C(=C3O2)C5=CC=CC=C5N4C6=NC(=CC(=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC(C(C=C9)C1=CC=CC=C1)C

DOS

IR

Vibrations