Geometry & MOs

Info

ID:	441281
PubChem CID:	135233966
Reduced:	ON3H29C47 (1)
Stoich.:	AB3C29D47 (1)
Weight, g/mol:	577.215412
ΔH_f, kcal/mol:	208.05
Dipole, Da:	1.85
IP(EA), eV:	-8.61(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-phenanthren-9-yl-4a,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=C6C(=CC=C5)OC7=C6C=C(C=C7)C8=CC9=C(C=CC1=CC=CC=C19)C=C8

DOS

IR

Vibrations