Geometry & MOs

Info

ID:	438132
PubChem CID:	135227755
Reduced:	BrOF2N2H7C14 (1)
Stoich.:	ABC2D2E7F14 (1)
Weight, g/mol:	563.09971
ΔH_f, kcal/mol:	-27.25
Dipole, Da:	2.57
IP(EA), eV:	-9.84(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C2=NN=C(O2)C3=CC(=CC(=C3)F)F

DOS

IR

Vibrations