Geometry & MOs

Info

ID:	441266
PubChem CID:	135233861
Reduced:	BrClSH8C12 (1)
Stoich.:	ABCD8E12 (1)
Weight, g/mol:	654.241962
ΔH_f, kcal/mol:	35.91
Dipole, Da:	2.61
IP(EA), eV:	-8.69(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]-9,9a-dihydrodibenzofuran-2-yl]-1,3,5-triazin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C=C1Br)C3=C(S2)C=CC(=C3)Cl

DOS

IR

Vibrations