Geometry & MOs

Info

ID:	327225
PubChem CID:	126689282
Reduced:	O2F3N4H23C24 (1)
Stoich.:	A2B3C4D23E24 (1)
Weight, g/mol:	252.09102
ΔH_f, kcal/mol:	-152.43
Dipole, Da:	6.57
IP(EA), eV:	-8.88(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-3-nitrophenyl)-1,5-dimethylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1CCC(C1=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CCC=C

DOS

IR

Vibrations