Geometry & MOs

Info

ID:	307919
PubChem CID:	125310756
Reduced:	FSN6H15C20 (1)
Stoich.:	ABC6D15E20 (1)
Weight, g/mol:	210.100442
ΔH_f, kcal/mol:	124.51
Dipole, Da:	7.34
IP(EA), eV:	-9.2(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-5-cyclobutyl-3-hydroxy-3H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)C5=NN=C(C5)C6=CC=C(C=C6)F

DOS

IR

Vibrations