Geometry & MOs

Info

ID:	17156
PubChem CID:	486417
Reduced:	OBr2N6H12C17 (1)
Stoich.:	AB2C6D12E17 (1)
Weight, g/mol:	475.94188
ΔH_f, kcal/mol:	89.73
Dipole, Da:	8.91
IP(EA), eV:	-8.78(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-amino-6-(2,6-dibromo-4-methylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)OC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N)Br

DOS

IR

Vibrations