Geometry & MOs

Info

ID:	292477
PubChem CID:	115001560
Reduced:	FN2O3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	224.09094
ΔH_f, kcal/mol:	-46.67
Dipole, Da:	4.97
IP(EA), eV:	-10.36(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-nitro-1H-pyrazol-4-yl)piperidine-2-carbaldehyde

Drug info:

PubChemData

Smile

CC(COC1=CC(=C(C=C1)[N+](=O)[O-])F)C#N

DOS

IR

Vibrations