Geometry & MOs

Info

ID:	373413
PubChem CID:	131314857
Reduced:	NSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	259.03202
ΔH_f, kcal/mol:	-2.28
Dipole, Da:	5.31
IP(EA), eV:	-9.28(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methyl-3-piperidin-2-yl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)SC(=C2C=O)[N+](=O)[O-]

DOS

IR

Vibrations