Geometry & MOs

Info

ID:	248164
PubChem CID:	103079348
Reduced:	N2O2C5H8 (2)
Stoich.:	A2B2C5D8 (2)
Weight, g/mol:	284.148455
ΔH_f, kcal/mol:	-72.93
Dipole, Da:	5.87
IP(EA), eV:	-9.52(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(CNC1=NN(C=C1[N+](=O)[O-])C)C(=O)O

DOS

IR

Vibrations