Geometry & MOs

Info

ID:	309894
PubChem CID:	126565705
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	221.121592
ΔH_f, kcal/mol:	-60.07
Dipole, Da:	4.63
IP(EA), eV:	-9.5(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-3-propan-2-ylphenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)N[C@@H](CCC#N)C(=O)OCC

DOS

IR

Vibrations