Geometry & MOs

Info

ID:	330429
PubChem CID:	127247416
Reduced:	ON5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	297.060569
ΔH_f, kcal/mol:	50.1
Dipole, Da:	4.55
IP(EA), eV:	-9.66(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-pyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CN=C(N=C2)C3CC3)C4=CC=NN4

DOS

IR

Vibrations