Geometry & MOs

Info

ID:	338497
PubChem CID:	127259189
Reduced:	ClO2N4C8H9 (1)
Stoich.:	AB2C4D8E9 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-9.55
Dipole, Da:	5.28
IP(EA), eV:	-9.1(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC/C=N/NC1=NN=C(C=C1)Cl

DOS

IR

Vibrations