Geometry & MOs

Info

ID:	248289
PubChem CID:	103080331
Reduced:	ON3C5H9 (2)
Stoich.:	AB3C5D9 (2)
Weight, g/mol:	267.169525
ΔH_f, kcal/mol:	39.13
Dipole, Da:	5.9
IP(EA), eV:	-8.46(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(1-methyl-4-nitropyrazol-3-yl)piperidin-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CN)C2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations