Geometry & MOs

Info

ID:	330332
PubChem CID:	127247319
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	311.076219
ΔH_f, kcal/mol:	57.35
Dipole, Da:	5.65
IP(EA), eV:	-9.6(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)C3=CN=C(N=C3)C4CC4

DOS

IR

Vibrations