Geometry & MOs

Info

ID:	426758
PubChem CID:	135153742
Reduced:	BrN3H10C15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	493.02483
ΔH_f, kcal/mol:	95.32
Dipole, Da:	1.32
IP(EA), eV:	-9.82(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CC(=NC(=C2)Br)C3=CN=CC=C3

DOS

IR

Vibrations