Geometry & MOs

Info

ID:	330252
PubChem CID:	127247239
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	15.35
Dipole, Da:	6.25
IP(EA), eV:	-9.1(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)CC3=CC=CS3

DOS

IR

Vibrations