Geometry & MOs

Info

ID:	330137
PubChem CID:	127247124
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	309.125946
ΔH_f, kcal/mol:	35.25
Dipole, Da:	1.49
IP(EA), eV:	-8.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-5-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=N1)CC(=O)N3CCC(C3)C4=CC=NN4

DOS

IR

Vibrations