Geometry & MOs

Info

ID:	318799
PubChem CID:	126653326
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	249.116507
ΔH_f, kcal/mol:	-70.46
Dipole, Da:	3.25
IP(EA), eV:	-8.8(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(7-fluoro-3,4-dihydro-2H-chromen-6-yl)-3-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CNC1=O)C2=CC3=C(C=C2)OCC3

DOS

IR

Vibrations