Geometry & MOs

Info

ID:	330195
PubChem CID:	127247182
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	323.141596
ΔH_f, kcal/mol:	27.52
Dipole, Da:	3.67
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)CC3=C(N=C4N3C=CC=C4)C

DOS

IR

Vibrations