Geometry & MOs

Info

ID:	24559
PubChem CID:	611043
Reduced:	N2O3C4H4 (2)
Stoich.:	A2B3C4D4 (2)
Weight, g/mol:	256.044384
ΔH_f, kcal/mol:	-71.43
Dipole, Da:	5.08
IP(EA), eV:	-10.59(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dinitropyridin-2-yl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)NC1=C(C=C(C=N1)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations