Geometry & MOs

Info

ID:	292478
PubChem CID:	115001564
Reduced:	O3N4C9H12 (1)
Stoich.:	A3B4C9D12 (1)
Weight, g/mol:	224.09094
ΔH_f, kcal/mol:	8.38
Dipole, Da:	3.17
IP(EA), eV:	-9.28(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-nitro-1H-pyrazol-4-yl)piperidine-3-carbaldehyde

Drug info:

PubChemData

Smile

C1CCN(C(C1)C=O)C2=C(NN=C2)[N+](=O)[O-]

DOS

IR

Vibrations