Geometry & MOs

Info

ID:	330179
PubChem CID:	127247166
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	309.094726
ΔH_f, kcal/mol:	20.46
Dipole, Da:	5.58
IP(EA), eV:	-8.64(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]-4-methyl-1H-pyrazole

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations