Geometry & MOs

Info

ID:	441280
PubChem CID:	135233960
Reduced:	NOH17C26 (2)
Stoich.:	ABC17D26 (2)
Weight, g/mol:	651.231063
ΔH_f, kcal/mol:	226.7
Dipole, Da:	3.05
IP(EA), eV:	-7.84(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-phenanthren-3-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

Drug info:

PubChemData

Smile

C1C=CC=C2C1C3=C(C=C(C=C3)C4=CC5=C(C=C4)OC6=CC=CC(=C65)C7=NC(C=C(N7)C8=CC=CC=C8)C9=CC=CC1=C9OC3=CC=CC=C13)C1=CC=CC=C21

DOS

IR

Vibrations