Geometry & MOs

Info

ID:	17154
PubChem CID:	486415
Reduced:	FOCl2N6H9C16 (1)
Stoich.:	ABC2D6E9F16 (1)
Weight, g/mol:	390.019893
ΔH_f, kcal/mol:	40.76
Dipole, Da:	5.12
IP(EA), eV:	-9.36(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)NC2=NC(=NC(=N2)N)OC3=C(C=C(C=C3Cl)F)Cl

DOS

IR

Vibrations