Geometry & MOs

Info

ID:	275730
PubChem CID:	103817303
Reduced:	ClN4O4H9C11 (1)
Stoich.:	AB4C4D9E11 (1)
Weight, g/mol:	312.062533
ΔH_f, kcal/mol:	-17.43
Dipole, Da:	6.29
IP(EA), eV:	-10.25(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-5-nitropyridine-3-carbonyl)-3-ethylpiperazin-2-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=C(N=CC(=C2)[N+](=O)[O-])Cl)C#N

DOS

IR

Vibrations