Geometry & MOs

Info

ID:	248151
PubChem CID:	103079293
Reduced:	N4O4C9H14 (1)
Stoich.:	A4B4C9D14 (1)
Weight, g/mol:	268.117155
ΔH_f, kcal/mol:	-57.15
Dipole, Da:	6.84
IP(EA), eV:	-9.25(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations