Geometry & MOs

Info

ID:	30167
PubChem CID:	840418
Reduced:	NO3H5C6 (2)
Stoich.:	AB3C5D6 (2)
Weight, g/mol:	278.053886
ΔH_f, kcal/mol:	-134.61
Dipole, Da:	7.33
IP(EA), eV:	-10.71(-2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-nitro-1,3-dioxoisoindol-2-yl)butanoic acid

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)O)N1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations