Geometry & MOs

Info

ID:	318798
PubChem CID:	126653307
Reduced:	F2N2O4C11H12 (1)
Stoich.:	A2B2C4D11E12 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-164.57
Dipole, Da:	3.91
IP(EA), eV:	-10.68(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC([C@@H](C[N+](=O)[O-])C1=C(C=NC=C1F)F)C(=O)OC

DOS

IR

Vibrations