Geometry & MOs

Info

ID:	306213
PubChem CID:	125002737
Reduced:	SO2N6C15H22 (1)
Stoich.:	AB2C6D15E22 (1)
Weight, g/mol:	273.195346
ΔH_f, kcal/mol:	-12.85
Dipole, Da:	3.12
IP(EA), eV:	-9.58(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3,5-dimethyl-4-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)[C@@H]2CCCN(C2)S(=O)(=O)N(C)C)C3=CC=NN3

DOS

IR

Vibrations