Geometry & MOs

Info

ID:	267808
PubChem CID:	103589670
Reduced:	BrO3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	351.02185
ΔH_f, kcal/mol:	18.61
Dipole, Da:	7.21
IP(EA), eV:	-9.63(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromo-5-nitrophenoxy)-N-propylpyridin-2-amine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1OC2=CC(=CC(=C2)[N+](=O)[O-])Br)N

DOS

IR

Vibrations