Geometry & MOs

Info

ID:	267802
PubChem CID:	103589647
Reduced:	BrFO3N4H6C10 (1)
Stoich.:	ABC3D4E6F10 (1)
Weight, g/mol:	358.94208
ΔH_f, kcal/mol:	-7.19
Dipole, Da:	2.84
IP(EA), eV:	-9.65(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-5-nitrophenoxy)-6-chloro-N-methyl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1OC2=NC(=NC=C2F)N)Br)[N+](=O)[O-]

DOS

IR

Vibrations