Geometry & MOs

Info

ID:	248141
PubChem CID:	103079241
Reduced:	N4O4C7H10 (1)
Stoich.:	A4B4C7D10 (1)
Weight, g/mol:	256.117155
ΔH_f, kcal/mol:	-46.58
Dipole, Da:	7.1
IP(EA), eV:	-9.3(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations