Geometry & MOs

Info

ID:	330327
PubChem CID:	127247314
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	-7.05
Dipole, Da:	4.82
IP(EA), eV:	-9.31(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CC(=O)N2CCCCC2C3=C(C=NN3)C

DOS

IR

Vibrations