Geometry & MOs

Info

ID:	291554
PubChem CID:	113442198
Reduced:	SO2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	236.200097
ΔH_f, kcal/mol:	-17.88
Dipole, Da:	5.19
IP(EA), eV:	-9.15(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine

Drug info:

PubChemData

Smile

C1C(CC2=CC=CC=C21)NS(=O)(=O)C3=CNN=C3

DOS

IR

Vibrations