Geometry & MOs

Info

ID:	187362
PubChem CID:	77564086
Reduced:	ClO3N4C31H31 (1)
Stoich.:	AB3C4D31E31 (1)
Weight, g/mol:	184.012021
ΔH_f, kcal/mol:	-34.16
Dipole, Da:	8.32
IP(EA), eV:	-9.51(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-2-oxo-3H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1=C(C(=O)N(C(=N1)C)CC2=CC=CC=C2Cl)CC3=CC(=C(C=C3)C4=CC=CC=C4)C5NC(=O)ON5

DOS

IR

Vibrations