Geometry & MOs

Info

ID:	248282
PubChem CID:	103080253
Reduced:	O3N6C12H20 (1)
Stoich.:	A3B6C12D20 (1)
Weight, g/mol:	279.169525
ΔH_f, kcal/mol:	-14.9
Dipole, Da:	7.36
IP(EA), eV:	-8.92(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-4-nitropyrazol-3-yl)-2-pyrrolidin-2-ylpiperidine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CCCC(C2)C(=O)NCCN)[N+](=O)[O-]

DOS

IR

Vibrations