Geometry & MOs

Info

ID:	358734
PubChem CID:	127296548
Reduced:	BrNSO4C14H16 (1)
Stoich.:	ABCD4E14F16 (1)
Weight, g/mol:	269.119798
ΔH_f, kcal/mol:	-114.27
Dipole, Da:	6.87
IP(EA), eV:	-9.3(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylidene-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

Drug info:

PubChemData

Smile

C=C1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCCO3)Br

DOS

IR

Vibrations