Geometry & MOs

Info

ID:

441986

PubChem CID:

135247402

Reduced:

N3H39C55 (1)

Stoich.:

A3B39C55 (1)

Weight, g/mol:

653.246713

ΔHf, kcal/mol:

255.81

Dipole, Da:

0.87

IP(EA), eV:

 -8.33(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(4-naphtho[2,3-b][1]benzofuran-3-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

Drug info:

PubChemData

Smile

CC/C=C\C1=C(C2(C3=CC=CC=C3C4=C2C5=CC=CC=C5C6=CC=CC=C64)C7=CC=CC(=C71)C8=CC=CC=C8C9=NC(=NC(=N9)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations