Geometry & MOs

Info

ID:	264703
PubChem CID:	103483869
Reduced:	BrFO2N3H9C11 (1)
Stoich.:	ABC2D3E9F11 (1)
Weight, g/mol:	374.94216
ΔH_f, kcal/mol:	-51.29
Dipole, Da:	7.31
IP(EA), eV:	-8.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-5-chloropyridin-2-amine

Drug info:

PubChemData

Smile

CN1C=CN=C(C1=O)OC2=CC(=C(C=C2N)Br)F

DOS

IR

Vibrations