Geometry & MOs

Info

ID:	345167
PubChem CID:	127268927
Reduced:	SN2O2C11H22 (1)
Stoich.:	AB2C2D11E22 (1)
Weight, g/mol:	257.119798
ΔH_f, kcal/mol:	-109.92
Dipole, Da:	3.24
IP(EA), eV:	-9.41(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-trimethyl-4-(3-methylpyrrolidin-1-yl)sulfonylpyrazole

Drug info:

PubChemData

Smile

CC1CCN(C1)S(=O)(=O)N2CCCCC2C

DOS

IR

Vibrations