Geometry & MOs

Info

ID:	306154
PubChem CID:	125001800
Reduced:	SO2N5C15H21 (1)
Stoich.:	AB2C5D15E21 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	-24.67
Dipole, Da:	4.05
IP(EA), eV:	-9.22(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)C2=NC=CN=C2[C@H]3CCCN(C3)S(=O)(=O)C

DOS

IR

Vibrations