Geometry & MOs

Info

ID:	330258
PubChem CID:	127247245
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	-3.17
Dipole, Da:	5.45
IP(EA), eV:	-9.64(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methylthiophen-2-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCC1=CC(=NO1)C(=O)N2CCCCC2C3=CC=NN3

DOS

IR

Vibrations