Geometry & MOs

Info

ID:	318510
PubChem CID:	126651582
Reduced:	FNO4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	463.215887
ΔH_f, kcal/mol:	-181.19
Dipole, Da:	3.36
IP(EA), eV:	-8.02(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-3-[4-(2-fluorophenyl)phenoxy]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC2CCN(C2=O)C3=CC(=C(C=C3)OCC(C)(C)C)OC)F

DOS

IR

Vibrations