Geometry & MOs

Info

ID:	345155
PubChem CID:	127268915
Reduced:	SN2O2C12H26 (1)
Stoich.:	AB2C2D12E26 (1)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	-120.76
Dipole, Da:	3.93
IP(EA), eV:	-9.34(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

Drug info:

PubChemData

Smile

CCC1(CCN(CC1)S(=O)(=O)N(CC)CC)C

DOS

IR

Vibrations