Geometry & MOs

Info

ID:	267814
PubChem CID:	103589681
Reduced:	BrClO3N4H8C11 (1)
Stoich.:	ABC3D4E8F11 (1)
Weight, g/mol:	371.96248
ΔH_f, kcal/mol:	26.33
Dipole, Da:	3.33
IP(EA), eV:	-9.19(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-5-nitrophenoxy)-5-chloro-N-ethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=N1)OC2=CC(=CC(=C2)[N+](=O)[O-])Br)Cl

DOS

IR

Vibrations