Geometry & MOs

Info

ID:	248150
PubChem CID:	103079287
Reduced:	N2O2C5H8 (2)
Stoich.:	A2B2C5D8 (2)
Weight, g/mol:	242.101505
ΔH_f, kcal/mol:	-68.06
Dipole, Da:	7.93
IP(EA), eV:	-9.11(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OC)NC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations