Geometry & MOs

Info

ID:	327245
PubChem CID:	126689326
Reduced:	F3N4O4C24H25 (1)
Stoich.:	A3B4C4D24E25 (1)
Weight, g/mol:	207.105942
ΔH_f, kcal/mol:	-268.69
Dipole, Da:	2.92
IP(EA), eV:	-8.98(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-1,5-dimethylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1CC[C@@H](C1=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CC[C@@H](CO)O

DOS

IR

Vibrations