Geometry & MOs

Info

ID:	248143
PubChem CID:	103079248
Reduced:	N4O5C10H14 (1)
Stoich.:	A4B5C10D14 (1)
Weight, g/mol:	228.085855
ΔH_f, kcal/mol:	-88.96
Dipole, Da:	7.51
IP(EA), eV:	-9.32(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-methyl-4-nitropyrazol-3-yl)amino]butanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CC(CC2C(=O)O)OC)[N+](=O)[O-]

DOS

IR

Vibrations