Geometry & MOs

Info

ID:	327255
PubChem CID:	126689348
Reduced:	ClFSN4O5C22H24 (1)
Stoich.:	ABCD4E5F22G24 (1)
Weight, g/mol:	207.105942
ΔH_f, kcal/mol:	-127.53
Dipole, Da:	5.95
IP(EA), eV:	-9.41(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-3,3-dimethylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@@](CCN1C=NC2=C(C1=O)C=C(C(=C2)C#CC#C[C@@H]3C[C@H]3CN)F)(C(=O)NO)S(=O)(=O)C.Cl

DOS

IR

Vibrations