Geometry & MOs

Info

ID:	333832
PubChem CID:	127252384
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-23.3
Dipole, Da:	7.49
IP(EA), eV:	-9.56(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1(CCCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=CC=NN3

DOS

IR

Vibrations