Geometry & MOs

Info

ID:	260722
PubChem CID:	103201602
Reduced:	ClN3O4H10C12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	-2.8
Dipole, Da:	8.11
IP(EA), eV:	-9.37(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methoxy-3-nitrophenoxy)pyridin-4-yl]ethanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OCC2=NN=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations