Geometry & MOs

Info

ID:	330326
PubChem CID:	127247313
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	-19.77
Dipole, Da:	3.05
IP(EA), eV:	-9.33(-0.23)
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-(5-methylthiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)N2CCCCC2C3=C(C=NN3)C)C

DOS

IR

Vibrations