Geometry & MOs

Info

ID:

441961

PubChem CID:

135247150

Reduced:

F2N3H29C42 (1)

Stoich.:

A2B3C29D42 (1)

Weight, g/mol:

653.246713

ΔHf, kcal/mol:

94.98

Dipole, Da:

6.07

IP(EA), eV:

 -8.75(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4-(3,4-dihydronaphtho[2,3-b][1]benzofuran-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1CC2=C(C=C1C3=CC4=C(C=C3)C5=CC=CC=C5C=C4)C(C6=C2C=CC(=C6)C7=NC(N=C(N7)C8=CC=CC=C8)C9=CC=CC=C9)(F)F

DOS

IR

Vibrations