Geometry & MOs

Info

ID:	420988
PubChem CID:	135115166
Reduced:	ClSN2O5C12H17 (1)
Stoich.:	ABC2D5E12F17 (1)
Weight, g/mol:	287.210996
ΔH_f, kcal/mol:	-175.41
Dipole, Da:	3.8
IP(EA), eV:	-9.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-imidazol-2-yl)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC=C(O2)Cl

DOS

IR

Vibrations