Geometry & MOs

Info

ID:	318800
PubChem CID:	126653327
Reduced:	FNO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	235.100857
ΔH_f, kcal/mol:	-126.68
Dipole, Da:	7.85
IP(EA), eV:	-9.02(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-3-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CNC1=O)C2=C(C=C3C(=C2)CCCO3)F

DOS

IR

Vibrations