Geometry & MOs

Info

ID:	267818
PubChem CID:	103589688
Reduced:	BrN4O4H11C12 (1)
Stoich.:	AB4C4D11E12 (1)
Weight, g/mol:	351.02185
ΔH_f, kcal/mol:	0.46
Dipole, Da:	6.79
IP(EA), eV:	-9.15(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-5-nitrophenoxy)-N-propylpyridin-3-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations