Geometry & MOs

Info

ID:	206037
PubChem CID:	80193346
Reduced:	NS2O3C12H19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	301.146013
ΔH_f, kcal/mol:	-120.95
Dipole, Da:	3.28
IP(EA), eV:	-9.54(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,3-diethylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-4-yl]methanol

Drug info:

PubChemData

Smile

CC1(CCN(C1)S(=O)(=O)C2=CC=C(S2)CCO)C

DOS

IR

Vibrations