Geometry & MOs

Info

ID:	330254
PubChem CID:	127247241
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	7.83
Dipole, Da:	6.24
IP(EA), eV:	-9.36(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N2CCCCC2C3=CC=NN3

DOS

IR

Vibrations