Geometry & MOs

Info

ID:	330314
PubChem CID:	127247301
Reduced:	OSN3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	8.01
Dipole, Da:	6.47
IP(EA), eV:	-8.87(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CC3=CSC=C3

DOS

IR

Vibrations