Geometry & MOs

Info

ID:	338495
PubChem CID:	127259187
Reduced:	ClNO3C8H8 (1)
Stoich.:	ABC3D8E8 (1)
Weight, g/mol:	288.051299
ΔH_f, kcal/mol:	-106.77
Dipole, Da:	2.72
IP(EA), eV:	-9.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6-chloro-3-nitropyridin-2-yl)oxy-2-methylpropan-2-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCOC1=NC(=CC=C1)Cl

DOS

IR

Vibrations