Geometry & MOs

Info

ID:	171404
PubChem CID:	75372824
Reduced:	FN2O4H13C15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-146.76
Dipole, Da:	7.46
IP(EA), eV:	-9.05(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-oxo-1-phenylpyrrolidin-3-yl)methyl 1-ethyl-3,5-dimethylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)C2=CC(=C(C=C2)F)C(=O)OCC3=COC=C3

DOS

IR

Vibrations