Geometry & MOs

Info

ID:	318810
PubChem CID:	126653404
Reduced:	FNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	255.107085
ΔH_f, kcal/mol:	-134.92
Dipole, Da:	5.65
IP(EA), eV:	-9.33(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(2,6-difluoro-4-methylphenyl)-1-methoxy-3-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CN(C1=O)CCO)C2=C(C=C(C=C2)C)F

DOS

IR

Vibrations