Geometry & MOs

Info

ID:	309304
PubChem CID:	126543839
Reduced:	SN3H33C44 (1)
Stoich.:	AB3C33D44 (1)
Weight, g/mol:	655.298748
ΔH_f, kcal/mol:	191.42
Dipole, Da:	0.98
IP(EA), eV:	-8.47(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(9,9-dimethyl-2,3-dihydrofluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1CCC2(C1)C3=CC=CC=C3C4=C(C=CC=C24)C5=NC(=NC(=N5)C6=CC=C(C=C6)C7=CC=CC8=C7SC9=CC=CC=C89)C1=CC=CCC1

DOS

IR

Vibrations