Geometry & MOs

Info

ID:	248159
PubChem CID:	103079332
Reduced:	N2O2C4H5 (2)
Stoich.:	A2B2C4D5 (2)
Weight, g/mol:	270.132805
ΔH_f, kcal/mol:	-31.35
Dipole, Da:	7.56
IP(EA), eV:	-9.62(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-[(1-methyl-4-nitropyrazol-3-yl)amino]hexanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CC(C2)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations