Geometry & MOs

Info

ID:	318969
PubChem CID:	126653977
Reduced:	O3F4N4C15H20 (1)
Stoich.:	A3B4C4D15E20 (1)
Weight, g/mol:	326.175419
ΔH_f, kcal/mol:	-316.43
Dipole, Da:	3.73
IP(EA), eV:	-9.07(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-[(1-ethylpyrazol-3-yl)carbamoyl]-4-fluoropyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)NC2=NN(C=C2)CC(F)(F)F)F

DOS

IR

Vibrations