Geometry & MOs

Info

ID:	248155
PubChem CID:	103079318
Reduced:	N2O2C6H9 (2)
Stoich.:	A2B2C6D9 (2)
Weight, g/mol:	296.148455
ΔH_f, kcal/mol:	-64.12
Dipole, Da:	5.64
IP(EA), eV:	-8.87(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(CCCN(C1)C2=NN(C=C2[N+](=O)[O-])C)C(=O)O

DOS

IR

Vibrations