Geometry & MOs

Info

ID:	449404
PubChem CID:	135298311
Reduced:	ClO2F3N9H29C30 (1)
Stoich.:	AB2C3D9E29F30 (1)
Weight, g/mol:	777.314398
ΔH_f, kcal/mol:	-12.68
Dipole, Da:	5.88
IP(EA), eV:	-9.74(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-bis(3-phenylphenyl)-6-(2,9,9-triphenylfluoren-4-yl)-1,3,5-triazine

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=NC=CC(=C2)C3=C(C=NN3C)NC1=O)N(C(=O)/C=C(\C)/C4=C(C=CC(=C4)Cl)N5C=C(N=N5)C(F)(F)F)N=C

DOS

IR

Vibrations