Geometry & MOs

Info

ID:	330312
PubChem CID:	127247299
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	-4.6
Dipole, Da:	6.4
IP(EA), eV:	-9.26(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CCC1=CC(=NO1)C(=O)N2CCCCC2C3=C(C=NN3)C

DOS

IR

Vibrations