Geometry & MOs

Info

ID:	425114
PubChem CID:	135125200
Reduced:	BrO2N3F4H18C26 (1)
Stoich.:	AB2C3D4E18F26 (1)
Weight, g/mol:	509.12949
ΔH_f, kcal/mol:	-126.47
Dipole, Da:	4.52
IP(EA), eV:	-9.44(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-chlorophenyl)phenyl]-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]1OC(=N[C@@]2(C3=C(C=CC(=C3)/C=C(/C4=NC=C(C=C4)Br)\F)F)C(F)F)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations