Geometry & MOs

Info

ID:	248144
PubChem CID:	103079250
Reduced:	NOC2H3 (4)
Stoich.:	ABC2D3 (4)
Weight, g/mol:	268.117155
ΔH_f, kcal/mol:	-68.61
Dipole, Da:	4.26
IP(EA), eV:	-9.48(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations