Geometry & MOs

Info

ID:	248153
PubChem CID:	103079306
Reduced:	N4O4C9H12 (1)
Stoich.:	A4B4C9D12 (1)
Weight, g/mol:	268.117155
ΔH_f, kcal/mol:	-32.83
Dipole, Da:	10.09
IP(EA), eV:	-9.41(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC(C2CC2)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations