Geometry & MOs

Info

ID:	441212
PubChem CID:	135233633
Reduced:	ON3C11H16 (2)
Stoich.:	AB3C11D16 (2)
Weight, g/mol:	714.230728
ΔH_f, kcal/mol:	-42.13
Dipole, Da:	1.78
IP(EA), eV:	-8.47(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-dibenzofuran-4-yl-6-phenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine

Drug info:

PubChemData

Smile

CC(C)(C)CN1C2=C(N=C(C=C2)C3CCCN(C3)C(=O)/C(=C/C=NC)/N)N(C1=O)C

DOS

IR

Vibrations