Geometry & MOs

Info

ID:	330236
PubChem CID:	127247223
Reduced:	SO3N5C15H21 (1)
Stoich.:	AB3C5D15E21 (1)
Weight, g/mol:	351.136511
ΔH_f, kcal/mol:	-61.76
Dipole, Da:	1.15
IP(EA), eV:	-9.6(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethyl-5-methylpyrazol-3-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCN1C=CC(=N1)C(=O)N2CCC(C2)C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations