Geometry & MOs

Info

ID:	139273
PubChem CID:	52501710
Reduced:	FSN3O4C21H26 (1)
Stoich.:	ABC3D4E21F26 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-180.33
Dipole, Da:	3.02
IP(EA), eV:	-8.85(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-benzyl-5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CCCN\3C(=O)CS/C3=C\C(=O)OC)F

DOS

IR

Vibrations