Geometry & MOs

Info

ID:	327219
PubChem CID:	126689251
Reduced:	F2O3N4C24H26 (1)
Stoich.:	A2B3C4D24E26 (1)
Weight, g/mol:	238.07537
ΔH_f, kcal/mol:	-174.73
Dipole, Da:	4.26
IP(EA), eV:	-9.1(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-3-nitrophenyl)-1-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@]1(CCC(=O)N1C)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CC(=C4)C(F)F)CCCO

DOS

IR

Vibrations