Geometry & MOs

Info

ID:	208183
PubChem CID:	80502720
Reduced:	ClN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	239.090606
ΔH_f, kcal/mol:	-51.54
Dipole, Da:	4.39
IP(EA), eV:	-9.83(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(tert-butylamino)-5-nitropyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(N2C=C(C=CC2=N1)Cl)C(=O)O

DOS

IR

Vibrations