Geometry & MOs

Info

ID:	330333
PubChem CID:	127247320
Reduced:	O2S2N3C13H17 (1)
Stoich.:	A2B2C3D13E17 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-19.96
Dipole, Da:	8.31
IP(EA), eV:	-8.91(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-phenoxypropan-1-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations